American Mineralogist Crystal Structure Database

5 matching records for this search.

Clinotobermorite
Download hom/clinotobermorite.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
_database_code_amcsd 0002328
11.274 7.344 11.468 99.18 97.19 90.03 C1
atom       x      y      z  Uiso
Si1    .8931  .2046  .1839 .0014
Si1A  -.8941 -.2096 -.1841 .0014
Si2    .9963 -.0362  .3553 .0056
Si2A  -.9950  .0383 -.3608 .0056
Si3    .8949 -.3726  .1869 .0018
Si3A  -.8946  .3688 -.1859 .0018
O1      .913   .124   .310  .013
O1A    -.916  -.128  -.309  .013
O11     .919  -.229   .316  .010
O11A   -.912   .227  -.309  .010
O2      .771  -.343   .115  .004
O2A    -.767   .348  -.108  .004
O21     .765   .149   .106  .008
O21A   -.767  -.151  -.111  .008
O3      .005  -.355   .111  .005
O3A     .003   .357  -.106  .005
O31     .002   .155   .099  .004
O31A    .005  -.161  -.105  .004
O4      .891   .431   .237  .009
O4A    -.895  -.432  -.238  .009
O5      .009  -.002   .497  .014
O6      .127  -.041   .311  .014
O6A    -.124   .053  -.319  .014
Wat6   -.335  -.051  -.683  .092
Wat6A   .342   .043   .699  .092
Ca1    .3640  .1072  .9228 .0023
Ca1A  -.3634 -.1042 -.9134 .0023
Ca3    .8679  .0998  .8981 .0024
Ca3A  -.8711 -.1001 -.9069 .0024
Ca2    .3113 -.0177  .4289  .025
Wat5    .514   .009   .511  .023
Wat7    .260  -.238   .537  .054
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Clinotobermorite
Download hom/clinotobermorite.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 data collected at Pisa
_database_code_amcsd 0006830
11.274 7.344 11.468 99.18 97.19 90.02 C1
atom       x      y      z  Uiso
Ca1    .3640  .1072  .9228 .0023
Ca1A  -.3634 -.1042 -.9134 .0023
Ca3    .8679  .0998  .8981 .0024
Ca3A  -.8711 -.1001 -.9069 .0024
Ca2    .3113 -.0177  .4289  .025
Si1    .8931  .2046  .1839 .0014
Si1A  -.8941 -.2096 -.1841 .0014
Si2    .9963 -.0362  .3553 .0056
Si2A  -.9950  .0383 -.3608 .0056
Si3    .8949 -.3726  .1869 .0018
Si3A  -.8946  .3688 -.1859 .0018
O1      .913   .124   .310  .013
O1A    -.916  -.128  -.309  .013
O11     .919  -.229   .316  .010
O11A   -.912   .227  -.309  .010
O2      .771  -.343   .115  .004
O2A    -.767   .349  -.108  .004
O21     .765   .149   .106  .008
O21A   -.767  -.151  -.111  .008
O3      .005  -.355   .111  .005
O3A     .003   .357  -.106  .005
O31     .002   .155   .099  .004
O31A    .005  -.161  -.105  .004
O4      .891   .431   .237  .009
O4A    -.895  -.432  -.238  .009
O5      .009  -.002   .497  .014
Wat5    .514   .009   .511  .023
O6      .127  -.041   .311  .014
O6A    -.124   .053  -.319  .014
Wat6   -.335  -.051  -.683  .092
Wat6A   .342   .043   .699  .092
Wat7    .260  -.238   .537  .054
Wat8    .260   .257   .535  .057
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Clinotobermorite
Download hom/clinotobermorite.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 data collected at Bern
_database_code_amcsd 0006831
11.273 7.350 11.498 99.17 97.19 89.97 C1
atom       x      y      z  Uiso
Ca1    .3617  .1076  .9233 .0029
Ca1A  -.3643 -.1044 -.9149 .0029
Ca3    .8709  .0988  .8976 .0025
Ca3A  -.8694 -.1010 -.9056 .0025
Ca2    .3118 -.0190  .4273  .026
Si1    .8933  .2067  .1829 .0016
Si1A  -.8926 -.2073 -.1841 .0016
Si2    .9969 -.0381  .3577 .0066
Si2A  -.9938  .0376 -.3586 .0066
Si3    .8949 -.3723  .1877 .0051
Si3A  -.8962  .3702 -.1872 .0051
O1      .913   .125   .311  .009
O1A    -.914  -.122  -.306  .009
O11     .914  -.221   .314  .012
O11A   -.916   .230  -.312  .012
O2      .770  -.349   .110  .004
O2A    -.769   .346  -.114  .004
O21     .764   .153   .110  .007
O21A   -.769  -.148  -.105  .007
O3      .003  -.351   .113  .005
O3A     .001   .358  -.106  .005
O31     .002   .154   .099  .005
O31A    .004  -.161  -.104  .005
O4      .891   .429   .236  .008
O4A    -.895  -.432  -.237  .008
O5      .009  -.005   .498  .017
Wat5    .508   .009   .508  .026
O6      .122  -.041   .310  .010
O6A    -.128   .046  -.320  .010
Wat6   -.335  -.063  -.691  .072
Wat6A   .335   .041   .695  .072
Wat7    .258  -.231   .542  .045
Wat8    .262   .250   .532  .057
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinotobermorite
Download hom/clinotobermorite.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: MDO1 data collected at Pisa
_database_code_amcsd 0006832
11.276 7.343 22.642 90 97.28 90 Cc
atom      x    y     z  Uiso
Ca1   .8651 .380 .4620 .0061
Ca1A  .1370 .368 .0427 .0061
Ca3   .8671 .881 .4482 .0054
Ca3A  .1288 .870 .0469 .0054
Ca2   .8120 .377 .2147  .028
Si1   .8908 .841 .5914  .001
Si1A  .1048 .833 .9105  .001
Si2   .9982 .123 .6779  .010
Si2A  .0067 .129 .8199  .010
Si3   .8972 .421 .5955  .003
Si3A  .1057 .410 .9055  .003
O1     .909 .970  .653  .004
O1A    .081 .935  .846  .004
O11    .925 .311  .661  .010
O11A   .091 .302  .845  .010
O2     .769 .371  .551  .005
O2A    .230 .376  .938  .005
O21    .766 .889  .557  .004
O21A   .234 .864  .951  .004
O3     .006 .382  .558  .009
O3A    .004 .370  .950  .009
O31   -.001 .866  .548  .001
O31A  -.002 .854  .943  .001
O4     .893 .631  .618  .013
O4A    .108 .626  .882  .013
O5     .009 .102  .749  .010
Wat5   .015 .380  .255  .027
O6     .130 .143  .655  .015
O6A    .878 .124  .839  .015
Wat6   .155 .682  .655  .062
Wat6A  .838 .634  .849  .062
Wat7   .756 .108  .265   .04
Wat8   .760 .604  .272   .06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Clinotobermorite
Download hom/clinotobermorite.pdf
Hoffmann C, Armbruster T
 
Zeitschrift fur Kristallographie 212 (1997) 863-873
Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O),
a natural C-S-H(I) type cement mineral: determination of the substructure
Locality: Wessels mine, Kalahari manganese field, South Africa
_cod_database_code 1000046
_database_code_amcsd 0011075
5.593 3.645 22.45599 90 96.97 90 I2/m
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .5282     0 .29487      .0173  .0125  .0283      0 .00799      0
Ca2  .3385     0  .4632 .25  .0234   .057  .0213      0  .0034      0
Si1  .4453 .0798 .15732  .5  .0124  .0120  .0151 -.0016  .0009  .0000
Si2  .5628    .5 .07108  .5  .0181  .0152  .0138      0  .0024      0
O2   .2304     0  .1953      .0152  .0167  .0217      0  .0046      0
O3   .6957     0 .19738      .0142  .0194  .0193      0  .0003      0
O4   .4156    .5  .1313  .5  .0255  .0133  .0184      0 -.0001      0
O5      .5    .5      0       .052   .040  .0213      0 -.0008      0
O6    .841    .5  .0925  .5  .0189   .033   .025      0  .0034      0
O7    .921    .5  .0950  .5   .042   .140   .040      0  -.003      0
O8    .495    .5  .4805  .5   .030   .068   .091      0  -.017      0
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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Total number of retrieved datasets: 5
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