B. Kodess - Academia.edu (original) (raw)

Papers by B. Kodess

Measurement Techniques, Nov 17, 2022

Physics of Metals and Metallography, 2021

The magnetic susceptibility of the V3Si vanadium silicide synthesized from high-purity starting m... more The magnetic susceptibility of the V3Si vanadium silicide synthesized from high-purity starting materials is measured in a 20−300 К temperature range. The dependence of the magnetic susceptibility of single-crystal on its orientation relative to the magnetic field is studied at room temperature, and the anisotropy of the magnetic susceptibility is found. Anomalies of different properties, which are observed in the 65–75 К temperature range, and the existence of anisotropy of the magnetic susceptibility are compared with those for pure vanadium; the genetic relationship (hereditivity) of many characteristics of the electronic structure of vanadium forming the silicide is noted.

Inorganic Materials, 2021

The linear thermal expansion coefficients (LTECs) of isotopically natural Fe (natFe) and samples ... more The linear thermal expansion coefficients (LTECs) of isotopically natural Fe (natFe) and samples isotopically enriched in 56Fe (99.945 wt %) and 57Fe (90.954 wt %) have been determined as functions of temperature by X-ray diffraction dilatometry in the temperature range 173–433 K. The low-temperature LTEC of 57Fe has been shown to be larger. As the temperature is raised to the range 368–433 K, the difference between the LTECs of the samples differing in isotopic composition decreases.

Solid State Communications, 1993

ABSTRACT On the base of precision experimental X-ray diffraction data anisotropy of thermal movem... more ABSTRACT On the base of precision experimental X-ray diffraction data anisotropy of thermal movement (A) of transition metal atoms in stoichio- and nonstoichiometric V3Si at different temperatures was determined. Anomalous temperature dependence of A value at lowering of the temperature was detected. The found empirical correlation between A and Tc values in the series of A 15 compounds is discussed.

Physica Status Solidi (a), 1971

The pressure dependence of the superconducting transition temperature T/sub c/ of single-phase sa... more The pressure dependence of the superconducting transition temperature T/sub c/ of single-phase samples of HfV/sub 2/ has been studied for quasistatic pressures P up to 220 kbar. It is found that both for annealed samples, which undergo a structural phase transformation at low temperatures, and for as-cast samples in which there are no observed anomalies in the resistance as the temperature is lowered, the value of T/sub c/ passes reversibly through a maximum at Proughly-equal25 kbar. In the region of the maximum the width of the superconducting transition increases abruptly, and at high pressures it decreases smoothly.

Solid State Communications, 1973

Les donn6es de l'instabilit6 du r6seau cristallin (abaissment anomale de l'intensit6 des reflexes... more Les donn6es de l'instabilit6 du r6seau cristallin (abaissment anomale de l'intensit6 des reflexes radiocristallographiques de Bragg) ont 6t6 consider6es simultan6ment avec la variation anomale de temperature de la susceptibilit6 paramagnetique X dans une coupure iso61ectronique quasibinaire V3(Si-Ge). Les valeurs X, x(T) et T¢ augmentent monotonne de V3Ge (a = 4,78 A) jusqu'~ V3Si (a = 4,72 A). On suppose que la distance entre les divers atomes peut etre un param6tre fondamental de la structure 61ectronique des composes A-15. ,

Physics Letters A, 1971

A cubic-to-tetragonal transformation is discovered in the Nb3(A1-Ge) alloy as a result of an inve... more A cubic-to-tetragonal transformation is discovered in the Nb3(A1-Ge) alloy as a result of an investigation carried out at low temperatures by means of an X-ray and NMR analysis.

Industrial laboratory. Diagnostics of materials, 2017

Ïðåäñòàâëåí îáçîð îñîáåííîñòåé ñåðòèôèêàöèè äèôðàêòîìåòðè÷åñêèõ èçìåðèòåëüíûõ ñèñòåì ñ ïðèìåíåíèå... more Ïðåäñòàâëåí îáçîð îñîáåííîñòåé ñåðòèôèêàöèè äèôðàêòîìåòðè÷åñêèõ èçìåðèòåëüíûõ ñèñòåì ñ ïðèìåíåíèåì êîðîòêîâîëíîâîãî èçëó÷åíèÿ, ïðåäíàçíà÷åííûõ äëÿ ôàçîâîãî àíàëèçà âåùåñòâ è ìàòåðèàëîâ. Òî÷íîñòü ðåçóëüòàòîâ ôàçîâîãî àíàëèçà â îñíîâíîì îïðåäåëÿåòñÿ ìåòîäè÷åñêèìè ïîãðåøíîñòÿìè, à íå èíñòðóìåíòàëüíûìè õàðàêòåðèñòèêàìè äèôðàêòîìåòðîâ. Äëÿ èäåíòèôèêàöèîííîãî (êà÷åñòâåííîãî è ïîëóêà÷åñòâåííîãî) àíàëèçà èñïîëüçóþò áàçû ñòðóêòóðíûõ äàííûõ è îòíîøåíèÿ èíòåãðàëüíûõ èíòåíñèâíîñòåé áðåããîâñêèõ îòðàaeåíèé. Äëÿ îöåíêè äîñòîâåðíîñòè ðåçóëüòàòîâ êîëè÷åñòâåííîãî ôàçîâîãî àíàëèçà íåîáõîäèìî ïðîâåñòè èñïûòàíèÿ èçìåðèòåëüíîé ñèñòåìû â öåëîì, âêëþ÷àÿ ïðîãðàììíîå îáåñïå÷åíèå, ñ ïðèìåíåíèåì àòòåñòîâàííûõ ÑÎ ïàðàìåòðîâ ðåøåòêè (ðàçìåðîâ ýëåìåíòàðíîé ÿ÷åéêè), ÑÎ ñ àòòåñòîâàííûì ñîîòíîøåíèåì èíòåíñèâíîñòåé áðåããîâñêèõ îòðàaeåíèé è/èëè ÑÎ äëÿ ìåòîäîâ Ðèòâåëüäà, ïîçâîëÿþùèõ îïðåäåëèòü ñîäåðaeàíèå êàaeäîé ôàçû. Èñïîëüçîâàíèå àäåêâàòíûõ ÑÎ îáåñïå÷èâàåò ïîâûøåíèå äîñòîâåðíîñòè ðåçóëüòàòîâ ôàçîâîãî àíàëèçà. Êëþ÷åâûå ñëîâà: ôàçîâûé àíàëèç; çàÿâëÿåìûå õàðàêòåðèñòèêè äèôðàêòîìåòðîâ; îöåíêà ñîîòâåòñòâèÿ; èñïûòàíèÿ è ïåðèîäè÷åñêàÿ ïîâåðêà; áàçû ñòàíäàðòíûõ ñïðàâî÷íûõ äàííûõ; ñòàíäàðòíûå îáðàçöû äèôðàêöèîííûõ ñâîéñòâ.

Inorganic Materials, 2020

We have studied a high-purity manganese sample provided by the Exhibition-Collection of Extrapure... more We have studied a high-purity manganese sample provided by the Exhibition-Collection of Extrapure Substances, operating on the basis of the Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, and analyzed for the concentration and trace levels of 59 elemental impurities. The content of the major component in it was 99.9993 wt %. Its growth surface was formed by intergrown and individual single crystals, from which samples for lattice parameter measurements were cut. Precision measurements were performed at room temperature (298 ± 1 K) over the entire Ewald sphere on an XCalibur four-circle diffractometer (Rigaku-Oxford Diffraction). The lattice parameters of single-crystal samples selected for measurements were determined using high-angle reflections. The unit-cell dimension of our samples turned out to exceed those reported previously by different groups for poly-and monocrystalline manganese samples.

Acta Crystallographica Section A Foundations and Advances, 2016

We have measured the unit cell of Ti from 10 K to 290 K, using a Bruker area detector diffratomet... more We have measured the unit cell of Ti from 10 K to 290 K, using a Bruker area detector diffratometer. The three lowest temperatures were 10, 28 and 45 K. Form 90 K to 290 K we used a Cryoindustries of America nitrogen cooler. Below 90 K we used a helium cooler from the same company. The sus for our measurements are about 0.00007 Å for a and 0.00017 Å for c. 290 K values are 2.95151 Å for a and 4.68483 Å for c. Corresponding 10 K values are 2.94650 and 4.67977 Å. From 290 K to 45 K we see no unusual behavior, but at 28 K we measure the c axis to be longer than at 10 and 45 K. The a axis did not show any unusual behavior. This is at variance with earlier published measured and computed values, which showed negative thermal expansion for c below 170 K. Our crystal was of high purity, and the temperatures are reliable to better than 1 K. The measurements we have for comparison were performed with a capacitance dilatometer.

Acta Crystallographica Section A Foundations of Crystallography, 2008

(1) was synthesised as a model compound for conducting metalorganic oligomers and polymers, and a... more (1) was synthesised as a model compound for conducting metalorganic oligomers and polymers, and a charge density study was conducted in order to gain insight into the sigma carbon-nickel bond, which is often formally represented as Ni 2+-C-. The results presented here, in combination with theoretically obtained values, demonstrate that the character of the Ni-C bond is far from ionic, and various parameters are presented that provide a much more nuanced image of this type of carbon-metal sigma bonding. Charges are calculated and compared with literature values, indicating that the nickel atom in this kind of compound is the most electron-rich nickel atoms known. The energy density is evaluated as a criterion for bond characterisation in this complex.

Acta Crystallographica Section A Foundations and Advances, 2016

Figure 1. Schematic visualization of three imaginable propagation types. The image shows snapshot... more Figure 1. Schematic visualization of three imaginable propagation types. The image shows snapshots from (a) dimerization-like, (b) random-like and (c) nucleation-like polymerization propagations. Although all three models exhibit the same average structure, they have very different real structures.

Acta Crystallographica Section A Foundations of Crystallography, 2012

The safety and quality of products made from different materials depend on the quality of metrolo... more The safety and quality of products made from different materials depend on the quality of metrological assurance used for characterization of the composition and properties of these materials. Modern diffractometric systems have new components which increase the productivity of these systems, whereas they may cause new uncertainties in the results of determining of the characteristics based on the diffraction pattern measurement data. Therefore of the considerable changes are needed in the Testing Program for Type Approval. Note that some manufacturers and users may not pay due attention to the metrological assurance, and the reliability and repeatability of characteristics. Some types of diffractometers are tested only for one and unconventional characteristic of the diffraction pattern, for example, angular position at small angles of diffraction reflections. As results is allows provide assurance for approximate phase analysis only. The accuracy for the positions of these reflections can be lower by one order of value than for the reflections whose positions are at very high values of angles, but it is based on these values that the uncertainty of crystal lattice parameters is determined just. In order to provide a more profound and overall testing of diffractometers for Russian Federation have been developed a new programs and certified measurement procedures and the system of Certified Standard Reference Materials (CSRM) of diffraction properties, based on stable physical characteristics and related to the parameters of the diffraction pattern [1-2]. Note that the results of comparative measurements show that the achieved accuracies for our CSRM and for the similar SRM systems available at NIST are alike. This CSRM system allows to conduct tests of X-ray diffractometers for conventional and new purposes: 1) a quantitative phase analysis based on the ratio of reflection intensities and on the results of measuring of a complete diffraction pattern using the Rietveld methods; 2) determining of micro-structural characteristics (grain sizes, sizes of nano-fragments and the value of micro-distortions of a crystal lattice) which are in demand especially in the machine-building, microelectronics and bio-nanotechnology. For this purpose we use CSRM and Measures with different levels of micro-distortions and taking into account the atomic weights of components; 3) determining of the life-service of a product on the basis of residual stress. The use is made of tablet-shaped, sintered CSRMs and measures; 4) for single crystal diffractometers we have developed new relevant and required CSRMs also.

Soviet Physics Journal, 1978

Acta Crystallographica Section A Foundations of Crystallography, 2012

Hybrid organic-inorganic complexes are very attractive due to their numerous possible application... more Hybrid organic-inorganic complexes are very attractive due to their numerous possible applications in modern materials chemistry. They exhibit interesting physicochemical behaviour while being in the solid state. This includes, for example, thermoelectric properties, magnetic high-temperature phase transitions or mechanical properties. Additionally, developments of such new classes of materials can extend our knowledge in the field of so-called crystal engineering. Recently we have utilized the synthesis and crystallization of different hybrid compounds of transition metal halides with benzene derivatives. A mixing of respective metal halides (e.g. ZnCl 4 , CoCl 4 , CdBr 4) with acetylaniline in acidic conditions resulted in a whole set of new isostructural layered complexes. They all crystallize in the orthorhombic Cmca space group. Recently, we have collected high-resolution X-ray diffraction data sets for the cobalt (see figure below) and zinc complexes. In this contribution we present our preliminary charge density studies of the described systems, in terms of the Hansen-Coppens multipole model followed by QTAIM analysis and theoretical periodic computations. Our findings are extended with the recently measured (at 90 K and 120 K) indium complex which shows a structural and magnetic phase transition at 108 K.

Acta Crystallographica Section A Foundations of Crystallography, 2011

also discuss the delivery of an undergraduate course in practical Xray crystallography. The cours... more also discuss the delivery of an undergraduate course in practical Xray crystallography. The course uses the crystallographic story arc as a means to have students reexamine their understanding of topics like stereochemistry and to better appreciate the process of scientific publication.

Measurement Techniques, Nov 17, 2022

Physics of Metals and Metallography, 2021

The magnetic susceptibility of the V3Si vanadium silicide synthesized from high-purity starting m... more The magnetic susceptibility of the V3Si vanadium silicide synthesized from high-purity starting materials is measured in a 20−300 К temperature range. The dependence of the magnetic susceptibility of single-crystal on its orientation relative to the magnetic field is studied at room temperature, and the anisotropy of the magnetic susceptibility is found. Anomalies of different properties, which are observed in the 65–75 К temperature range, and the existence of anisotropy of the magnetic susceptibility are compared with those for pure vanadium; the genetic relationship (hereditivity) of many characteristics of the electronic structure of vanadium forming the silicide is noted.

Inorganic Materials, 2021

The linear thermal expansion coefficients (LTECs) of isotopically natural Fe (natFe) and samples ... more The linear thermal expansion coefficients (LTECs) of isotopically natural Fe (natFe) and samples isotopically enriched in 56Fe (99.945 wt %) and 57Fe (90.954 wt %) have been determined as functions of temperature by X-ray diffraction dilatometry in the temperature range 173–433 K. The low-temperature LTEC of 57Fe has been shown to be larger. As the temperature is raised to the range 368–433 K, the difference between the LTECs of the samples differing in isotopic composition decreases.

Solid State Communications, 1993

ABSTRACT On the base of precision experimental X-ray diffraction data anisotropy of thermal movem... more ABSTRACT On the base of precision experimental X-ray diffraction data anisotropy of thermal movement (A) of transition metal atoms in stoichio- and nonstoichiometric V3Si at different temperatures was determined. Anomalous temperature dependence of A value at lowering of the temperature was detected. The found empirical correlation between A and Tc values in the series of A 15 compounds is discussed.

Physica Status Solidi (a), 1971

The pressure dependence of the superconducting transition temperature T/sub c/ of single-phase sa... more The pressure dependence of the superconducting transition temperature T/sub c/ of single-phase samples of HfV/sub 2/ has been studied for quasistatic pressures P up to 220 kbar. It is found that both for annealed samples, which undergo a structural phase transformation at low temperatures, and for as-cast samples in which there are no observed anomalies in the resistance as the temperature is lowered, the value of T/sub c/ passes reversibly through a maximum at Proughly-equal25 kbar. In the region of the maximum the width of the superconducting transition increases abruptly, and at high pressures it decreases smoothly.

Solid State Communications, 1973

Les donn6es de l'instabilit6 du r6seau cristallin (abaissment anomale de l'intensit6 des reflexes... more Les donn6es de l'instabilit6 du r6seau cristallin (abaissment anomale de l'intensit6 des reflexes radiocristallographiques de Bragg) ont 6t6 consider6es simultan6ment avec la variation anomale de temperature de la susceptibilit6 paramagnetique X dans une coupure iso61ectronique quasibinaire V3(Si-Ge). Les valeurs X, x(T) et T¢ augmentent monotonne de V3Ge (a = 4,78 A) jusqu'~ V3Si (a = 4,72 A). On suppose que la distance entre les divers atomes peut etre un param6tre fondamental de la structure 61ectronique des composes A-15. ,

Physics Letters A, 1971

A cubic-to-tetragonal transformation is discovered in the Nb3(A1-Ge) alloy as a result of an inve... more A cubic-to-tetragonal transformation is discovered in the Nb3(A1-Ge) alloy as a result of an investigation carried out at low temperatures by means of an X-ray and NMR analysis.

Industrial laboratory. Diagnostics of materials, 2017

Ïðåäñòàâëåí îáçîð îñîáåííîñòåé ñåðòèôèêàöèè äèôðàêòîìåòðè÷åñêèõ èçìåðèòåëüíûõ ñèñòåì ñ ïðèìåíåíèå... more Ïðåäñòàâëåí îáçîð îñîáåííîñòåé ñåðòèôèêàöèè äèôðàêòîìåòðè÷åñêèõ èçìåðèòåëüíûõ ñèñòåì ñ ïðèìåíåíèåì êîðîòêîâîëíîâîãî èçëó÷åíèÿ, ïðåäíàçíà÷åííûõ äëÿ ôàçîâîãî àíàëèçà âåùåñòâ è ìàòåðèàëîâ. Òî÷íîñòü ðåçóëüòàòîâ ôàçîâîãî àíàëèçà â îñíîâíîì îïðåäåëÿåòñÿ ìåòîäè÷åñêèìè ïîãðåøíîñòÿìè, à íå èíñòðóìåíòàëüíûìè õàðàêòåðèñòèêàìè äèôðàêòîìåòðîâ. Äëÿ èäåíòèôèêàöèîííîãî (êà÷åñòâåííîãî è ïîëóêà÷åñòâåííîãî) àíàëèçà èñïîëüçóþò áàçû ñòðóêòóðíûõ äàííûõ è îòíîøåíèÿ èíòåãðàëüíûõ èíòåíñèâíîñòåé áðåããîâñêèõ îòðàaeåíèé. Äëÿ îöåíêè äîñòîâåðíîñòè ðåçóëüòàòîâ êîëè÷åñòâåííîãî ôàçîâîãî àíàëèçà íåîáõîäèìî ïðîâåñòè èñïûòàíèÿ èçìåðèòåëüíîé ñèñòåìû â öåëîì, âêëþ÷àÿ ïðîãðàììíîå îáåñïå÷åíèå, ñ ïðèìåíåíèåì àòòåñòîâàííûõ ÑÎ ïàðàìåòðîâ ðåøåòêè (ðàçìåðîâ ýëåìåíòàðíîé ÿ÷åéêè), ÑÎ ñ àòòåñòîâàííûì ñîîòíîøåíèåì èíòåíñèâíîñòåé áðåããîâñêèõ îòðàaeåíèé è/èëè ÑÎ äëÿ ìåòîäîâ Ðèòâåëüäà, ïîçâîëÿþùèõ îïðåäåëèòü ñîäåðaeàíèå êàaeäîé ôàçû. Èñïîëüçîâàíèå àäåêâàòíûõ ÑÎ îáåñïå÷èâàåò ïîâûøåíèå äîñòîâåðíîñòè ðåçóëüòàòîâ ôàçîâîãî àíàëèçà. Êëþ÷åâûå ñëîâà: ôàçîâûé àíàëèç; çàÿâëÿåìûå õàðàêòåðèñòèêè äèôðàêòîìåòðîâ; îöåíêà ñîîòâåòñòâèÿ; èñïûòàíèÿ è ïåðèîäè÷åñêàÿ ïîâåðêà; áàçû ñòàíäàðòíûõ ñïðàâî÷íûõ äàííûõ; ñòàíäàðòíûå îáðàçöû äèôðàêöèîííûõ ñâîéñòâ.

Inorganic Materials, 2020

We have studied a high-purity manganese sample provided by the Exhibition-Collection of Extrapure... more We have studied a high-purity manganese sample provided by the Exhibition-Collection of Extrapure Substances, operating on the basis of the Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, and analyzed for the concentration and trace levels of 59 elemental impurities. The content of the major component in it was 99.9993 wt %. Its growth surface was formed by intergrown and individual single crystals, from which samples for lattice parameter measurements were cut. Precision measurements were performed at room temperature (298 ± 1 K) over the entire Ewald sphere on an XCalibur four-circle diffractometer (Rigaku-Oxford Diffraction). The lattice parameters of single-crystal samples selected for measurements were determined using high-angle reflections. The unit-cell dimension of our samples turned out to exceed those reported previously by different groups for poly-and monocrystalline manganese samples.

Acta Crystallographica Section A Foundations and Advances, 2016

We have measured the unit cell of Ti from 10 K to 290 K, using a Bruker area detector diffratomet... more We have measured the unit cell of Ti from 10 K to 290 K, using a Bruker area detector diffratometer. The three lowest temperatures were 10, 28 and 45 K. Form 90 K to 290 K we used a Cryoindustries of America nitrogen cooler. Below 90 K we used a helium cooler from the same company. The sus for our measurements are about 0.00007 Å for a and 0.00017 Å for c. 290 K values are 2.95151 Å for a and 4.68483 Å for c. Corresponding 10 K values are 2.94650 and 4.67977 Å. From 290 K to 45 K we see no unusual behavior, but at 28 K we measure the c axis to be longer than at 10 and 45 K. The a axis did not show any unusual behavior. This is at variance with earlier published measured and computed values, which showed negative thermal expansion for c below 170 K. Our crystal was of high purity, and the temperatures are reliable to better than 1 K. The measurements we have for comparison were performed with a capacitance dilatometer.

Acta Crystallographica Section A Foundations of Crystallography, 2008

(1) was synthesised as a model compound for conducting metalorganic oligomers and polymers, and a... more (1) was synthesised as a model compound for conducting metalorganic oligomers and polymers, and a charge density study was conducted in order to gain insight into the sigma carbon-nickel bond, which is often formally represented as Ni 2+-C-. The results presented here, in combination with theoretically obtained values, demonstrate that the character of the Ni-C bond is far from ionic, and various parameters are presented that provide a much more nuanced image of this type of carbon-metal sigma bonding. Charges are calculated and compared with literature values, indicating that the nickel atom in this kind of compound is the most electron-rich nickel atoms known. The energy density is evaluated as a criterion for bond characterisation in this complex.

Acta Crystallographica Section A Foundations and Advances, 2016

Figure 1. Schematic visualization of three imaginable propagation types. The image shows snapshot... more Figure 1. Schematic visualization of three imaginable propagation types. The image shows snapshots from (a) dimerization-like, (b) random-like and (c) nucleation-like polymerization propagations. Although all three models exhibit the same average structure, they have very different real structures.

Acta Crystallographica Section A Foundations of Crystallography, 2012

The safety and quality of products made from different materials depend on the quality of metrolo... more The safety and quality of products made from different materials depend on the quality of metrological assurance used for characterization of the composition and properties of these materials. Modern diffractometric systems have new components which increase the productivity of these systems, whereas they may cause new uncertainties in the results of determining of the characteristics based on the diffraction pattern measurement data. Therefore of the considerable changes are needed in the Testing Program for Type Approval. Note that some manufacturers and users may not pay due attention to the metrological assurance, and the reliability and repeatability of characteristics. Some types of diffractometers are tested only for one and unconventional characteristic of the diffraction pattern, for example, angular position at small angles of diffraction reflections. As results is allows provide assurance for approximate phase analysis only. The accuracy for the positions of these reflections can be lower by one order of value than for the reflections whose positions are at very high values of angles, but it is based on these values that the uncertainty of crystal lattice parameters is determined just. In order to provide a more profound and overall testing of diffractometers for Russian Federation have been developed a new programs and certified measurement procedures and the system of Certified Standard Reference Materials (CSRM) of diffraction properties, based on stable physical characteristics and related to the parameters of the diffraction pattern [1-2]. Note that the results of comparative measurements show that the achieved accuracies for our CSRM and for the similar SRM systems available at NIST are alike. This CSRM system allows to conduct tests of X-ray diffractometers for conventional and new purposes: 1) a quantitative phase analysis based on the ratio of reflection intensities and on the results of measuring of a complete diffraction pattern using the Rietveld methods; 2) determining of micro-structural characteristics (grain sizes, sizes of nano-fragments and the value of micro-distortions of a crystal lattice) which are in demand especially in the machine-building, microelectronics and bio-nanotechnology. For this purpose we use CSRM and Measures with different levels of micro-distortions and taking into account the atomic weights of components; 3) determining of the life-service of a product on the basis of residual stress. The use is made of tablet-shaped, sintered CSRMs and measures; 4) for single crystal diffractometers we have developed new relevant and required CSRMs also.

Soviet Physics Journal, 1978

Acta Crystallographica Section A Foundations of Crystallography, 2012

Hybrid organic-inorganic complexes are very attractive due to their numerous possible application... more Hybrid organic-inorganic complexes are very attractive due to their numerous possible applications in modern materials chemistry. They exhibit interesting physicochemical behaviour while being in the solid state. This includes, for example, thermoelectric properties, magnetic high-temperature phase transitions or mechanical properties. Additionally, developments of such new classes of materials can extend our knowledge in the field of so-called crystal engineering. Recently we have utilized the synthesis and crystallization of different hybrid compounds of transition metal halides with benzene derivatives. A mixing of respective metal halides (e.g. ZnCl 4 , CoCl 4 , CdBr 4) with acetylaniline in acidic conditions resulted in a whole set of new isostructural layered complexes. They all crystallize in the orthorhombic Cmca space group. Recently, we have collected high-resolution X-ray diffraction data sets for the cobalt (see figure below) and zinc complexes. In this contribution we present our preliminary charge density studies of the described systems, in terms of the Hansen-Coppens multipole model followed by QTAIM analysis and theoretical periodic computations. Our findings are extended with the recently measured (at 90 K and 120 K) indium complex which shows a structural and magnetic phase transition at 108 K.

Acta Crystallographica Section A Foundations of Crystallography, 2011

also discuss the delivery of an undergraduate course in practical Xray crystallography. The cours... more also discuss the delivery of an undergraduate course in practical Xray crystallography. The course uses the crystallographic story arc as a means to have students reexamine their understanding of topics like stereochemistry and to better appreciate the process of scientific publication.