American Mineralogist Crystal Structure Database

2 matching records for this search.

Britholite
 
Boyer L, Savariault J, Carpena J, Lacout J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=54&spage=1057
Acta Crystallographica C54 (1998) 1057-1057
A neodymium-substituted britholite compound
_cod_database_code 1008827
_database_code_amcsd 0016696
9.3938 9.3938 6.9013 90 90 120 P6_3/m
atom      x      y      z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P1   .39748 .36879    .25 .8333  .0079  .0070  .0064  .0044      0      0
Si1  .39748 .36879    .25 .1667  .0079  .0070  .0064  .0044      0      0
Ca1     1/3    2/3 .00051   .96 .01398 .01398  .0073 .00699      0      0
Nd1     1/3    2/3 .00051   .04 .01398 .01398  .0073 .00699      0      0
Ca2  .23845 .99067    .25   .86 .01385 .00999 .00830 .00603      0      0
Nd2  .23845 .99067    .25   .14 .01385 .00999 .00830 .00603      0      0
F1        0      0    .25   .77   .011   .011   .029  .0053      0      0
O1        0      0   .298   .07  .0177  .0124  .0129  .0112      0      0
O2    .3249  .4845    .25        .0087  .0108  .0239  .0039      0      0
O3    .5878  .4667    .25        .0305  .0156  .0111  .0149 -.0089 -.0053
O4    .3413  .2561  .0701         .017   .017    .02   .008      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ca9Nd(PO4)5(SiO4)F1.5O.25
 
Boyer L, Savariault J M, Carpena J, Lacout J L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=54&spage=1057
Acta Crystallographica C54 (1998) 1057-1059
A neodymium-substituted britholite compound
Locality: synthetic
_database_code_amcsd 0010315
9.3938 9.3938 6.9013 90 90 120 P6_3/m
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1     1/3    2/3 .00051 .96 .01174 .01398 .01398  .0073 .00699      0      0
Nd1     1/3    2/3 .00051 .04 .01174 .01398 .01398  .0073 .00699      0      0
Ca2  .23845 .99067    .25 .86 .01068 .01385 .00999 .00830 .00603      0      0
Nd2  .23845 .99067    .25 .14 .01068 .01385 .00999 .00830 .00603      0      0
P    .39748 .36879    .25 .85 .00679  .0079  .0070  .0064  .0044      0      0
Si   .39748 .36879    .25 .15 .00679  .0079  .0070  .0064  .0044      0      0
O1    .3249  .4845    .25      .0149  .0087  .0108  .0239  .0039      0      0
O2    .5878  .4667    .25      .0176  .0305  .0156  .0111  .0149 -.0089 -.0053
O3    .3413  .2561  .0701       .017   .017   .017    .02   .008      0      0
O4        0      0   .298 .07  .0127  .0177  .0124  .0129  .0112      0      0
F         0      0    .25 .77   .017   .011   .011   .029  .0053      0      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: 2
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