AMCSD Search Results (original) (raw)
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Merlino S, Bonaccorsi E, Armbruster T
American Mineralogist 84 (1999) 1613-1621
Tobermorites: Their real structure and order-disorder (OD) character
Sample: 9 Angstrom
_database_code_amcsd 0002329
11.156 7.303 9.566 101.08 92.83 89.98 C-1
atom x y z Uiso
Si1 .3859 .2158 .2234 .013
Si2 .3181 -.0193 .4343 .025
Si3 .3883 .6416 .2173 .015
O1 .390 .150 .377 .030
O11 .390 -.209 .371 .024
O2 .499 .663 .121 .024
O21 .502 .152 .136 .018
O3 .268 .649 .118 .013
O31 .267 .163 .133 .018
O4 .403 .441 .277 .022
O6 .179 -.040 .384 .041
OH6 .152 .488 .390 .050
Ca1 .3713 .0981 -.1040 .017
Ca2 .499 .460 .502 .035
Ca3 .3647 .5966 -.1175 .017
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Merlino S, Bonaccorsi E, Armbruster T
American Mineralogist 84 (1999) 1613-1621
Tobermorites: Their real structure and order-disorder (OD) character
Sample: 11 Angstrom
_database_code_amcsd 0002330
6.735 7.385 22.487 90 90 123.25 Bm
atom x y z Uiso
Si1 .7581 .3862 .15738 .0054
Si2 .9087 .7531 .07116 .0086
Si3 .7592 .9697 .15773 .0056
O1 .771 .5059 .0942 .014
O2 .759 .178 .1327 .0127
O3 .985 .5369 .1982 .0090
O4 .519 .3063 .1942 .012
O5 .894 .746 0 .017
OH6 .188 .893 .0940 .018
Wat6 .270 .434 .0939 .045
O7 .770 .860 .0951 .015
O8 .523 .8110 .1951 .011
O9 .987 .0459 .1985 .010
Ca1 .2651 .4328 .20557 .0085
Ca3 .7499 .9228 .29348 .0074
Wat1 .427 .219 0 .14
Wat2 .879 .237 0 .061
Wat3 .422 .800 0 .13
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Merlino S, Bonaccorsi E, Armbruster T
European Journal of Mineralogy 12 (2000) 411-429
The real structure of clinotobermorite and tobermorite 9 A:
OD character, polytypes, and structural relationships
Sample: MDO2
_database_code_amcsd 0006833
11.156 7.303 9.566 101.08 92.83 89.98 C-1
atom x y z occ Uiso
Ca1 .3713 .0981 -.1040 .017
Ca2 .499 .460 .502 .5 .035
Ca3 .3647 .5966 -.1175 .017
Si1 .3859 .2158 .2234 .013
Si2 .3181 -.0193 .4343 .025
Si3 .3883 .6416 .2173 .015
O1 .390 .150 .377 .030
O11 .390 -.209 .371 .024
O2 .499 .663 .121 .024
O21 .502 .152 .136 .018
O3 .268 .649 .118 .013
O31 .267 .163 .133 .018
O4 .403 .441 .277 .022
O6 .179 -.040 .384 .041
OH6 .152 .488 .390 .050
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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