American Mineralogist Crystal Structure Database

4 matching records for this search.

Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 293 K
_database_code_amcsd 0009964
11.9794 11.9794 11.9794 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1432       0     .25 .875 .0172   .032  .0082  .0111      0      0  .0010
Ca'    .1867       0     .25 .125  .019
Al1   .01880  .01880  .01880      .0091  .0091  .0091  .0091 -.0003 -.0003 -.0003
Al2     .875       0     .25      .0071   .003  .0090  .0090      0      0      0
O1    .78672  .09946  .30708      .0138  .0144  .0146  .0123  .0077  .0041  .0011
O2   -.06481 -.06481 -.06481      .0151  .0151  .0151  .0151 -.0023 -.0023 -.0023
O3      .375       0     .25 .251  .036
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View JMOL 3-D Structure (permalink)
 
Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 973 K
_database_code_amcsd 0009965
12.0308 12.0308 12.0308 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1464       0     .25 .910 .0342   .041   .035   .027      0      0  .0004
Ca'     .195       0     .25 .090  .016
Al1    .0176   .0176   .0176      .0183  .0183  .0183  .0183 -.0007 -.0007 -.0007
Al2     .875       0     .25      .0141   .005  .0187  .0187      0      0      0
O1    .78685  .10030  .30637      .0291  .0334  .0268  .0270  .0194  .0131  .0041
O2   -.06453 -.06453 -.06453      .0301  .0301  .0301  .0301 -.0102 -.0102 -.0102
O3       .25    .375       0 .181  .038
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 1223 K
_database_code_amcsd 0009966
12.0449 12.0449 12.0449 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1452       0     .25 .942 .0410   .054   .039   .030      0      0 -.0002
Ca'     .211       0     .25 .058  .017
Al1    .0185   .0185   .0185      .0200  .0200  .0200  .0200 -.0024 -.0024 -.0024
Al2     .875       0     .25      .0219   .018  .0241  .0241      0      0      0
O1    .78787  .10043  .30624      .0363  .0400  .0332  .0357  .0239  .0146  .0037
O2   -.06386 -.06386 -.06386      .0375  .0375  .0375  .0375 -.0109 -.0109 -.0109
O3      .375       0     .25 .116   .14
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chlormayenite
 
Boysen H, Lerch M, Stys A, Senyshyn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=675
Acta Crystallographica B63 (2007) 675-682
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
neutron powder diffraction study
Locality: synthetic
Sample: T = 1323 K
_database_code_amcsd 0009967
12.0585 12.0585 12.0585 90 90 90 I-43d
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .1456       0     .25 .926  .047   .066   .041   .034      0      0   .000
Ca'     .212       0     .25 .074   .05
Al1    .0183   .0183   .0183      .0253  .0253  .0253  .0253 -.0035 -.0035 -.0035
Al2     .875       0     .25      .0199   .014  .0231  .0231      0      0      0
O1    .78779  .10087  .30547      .0430  .0514  .0398  .0379  .0291  .0149  .0031
O2   -.06399 -.06399 -.06399      .0428  .0428  .0428  .0428 -.0119 -.0119 -.0119
O3      .375       0     .25  .15   .28
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: 4
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