American Mineralogist Crystal Structure Database

7 matching records for this search.

Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
Download am/vol84/AM84_1613.pdf
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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View JMOL 3-D Structure
 
Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
Download am/vol84/AM84_1613.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tobermorite
Download hom/tobermorite.pdf
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
 
Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MD01
Locality: Wessels mine, South Africa
_database_code_amcsd 0006884
11.265 7.386 44.970 90 90 90 F2dd
atom     x     y     z  Uiso
Ca1  .0048 .9977 .1034 .0078
Ca3  .9984 .5009 .1026 .0074
Si1  .2500 .2900 .0790  .006
Si2  .1760 -.001 .0356  .008
Si3  .2518 .7077 .0789  .004
O1    .136  .263 .1006  .003
O1b   .138  .757 .0975  .007
O2    .620  .505 .1511  .011
O2b   .620  .003 .1541  .007
O3    .183     0     0  .017
O5    .251  .499 .0667  .010
O6    .248  .179 .0475  .019
O6b   .244  .824 .0476  .011
O7    .034  .007 .0457  .024
O7b   .996  .508 .0478  .044
Wat2  .692     0     0   .06
Wat3  .416  .298  .001   .06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MD02
Locality: Wessels mine, South Africa
_database_code_amcsd 0006885
6.735 7.385 22.487 90 90 123.25 Bm
atom     x     y      z  Uiso
Ca1  .2651 .4328 .20557 .0085
Ca3  .7499 .9228 .29348 .0074
Si1  .7581 .3862 .15738 .0054
Si2  .9087 .7531 .07117 .0086
Si3  .7592 .9697 .15773 .0056
O1    .771 .5059  .0942  .014
O2    .759  .178  .1327 .0127
O3    .985 .5369  .1982 .0091
O4    .519 .3063  .1942  .012
O5    .894  .746      0  .017
O6    .188  .893  .0940  .018
Wat6  .270  .434  .0939  .045
O7    .770 .8601  .0951  .015
O8    .523 .8110  .1950  .011
O9    .987 .0459  .1985  .010
Wat1  .427  .219      0   .14
Wat2  .879  .237      0  .060
Wat3  .422  .800      0   .13
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: sample MDO2 - conventional X-ray source
Locality: Bascenov, Urals, Russia
_database_code_amcsd 0006886
6.732 7.369 22.680 90 90 123.18 Bm
atom     x     y     z occ Uiso
Ca1  .2632 .4310 .2069     .011
Ca2   .559  .078  .044 .25 .035
Ca3  .7519 .9228 .2945     .009
Si1   .757 .3876 .1574     .007
Si2   .915  .756 .0710     .015
Si3   .758  .967 .1589     .007
O1    .754  .499 .0949     .018
O2    .772  .185 .1328     .014
O3    .992  .537 .1971     .011
O4    .523  .312 .1946     .015
O5    .898  .752     0     .017
O6    .197  .896 .0949     .018
Wat6  .237  .416  .097      .09
O7    .752  .853 .0972     .017
O8    .524  .807 .1962     .008
O9    .984  .045 .2002     .011
Wat1   .42   .26 -.020  .5  .13
Wat2  .922  .250     0      .07
Wat3   .40   .76 -.019  .5  .10
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Tobermorite
Download hom/tobermorite.pdf
Merlino S, Bonaccorsi E, Armbruster T
 
European Journal of Mineralogy 13 (2001) 577-590
The real structure of tobermorite 11A: normal and anomalous forms,
OD character and polytypic modifications
Note: MDO2 - synchrotron radiation source
Locality: Bascenov, Urals, Russia
_database_code_amcsd 0006887
6.732 7.369 22.680 90 90 123.18 Bm
atom    x     y     z occ Uiso
Ca1  .277 .4257 .2083     .024
Ca2  .562  .064  .045 .25 .038
Ca3  .763  .916 .2951     .027
Si1  .771  .383 .1578     .031
Si2  .925  .750 .0721     .030
Si3  .772  .962 .1596     .027
O1   .774  .495 .0932     .039
O2   .762  .169 .1305     .019
O3   .002  .527 .2000     .032
O4   .536  .304 .1926     .035
O5   .910  .747     0     .034
O6   .202  .887 .0942     .053
Wat6 .289  .436  .094     .076
O7   .769  .843 .0953     .027
O8   .537  .798 .1968     .036
O9   .004  .043 .2008     .034
Wat1 .433  .223 -.025  .5 .072
Wat2 .949  .256     0      .08
Wat3  .43   .77 -.022  .5  .09
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 7
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