American Mineralogist Crystal Structure Database

6 matching records for this search.

Uvarovite
Download hom/uvarovite.pdf
Novak G A, Gibbs G V
Download am/vol56/AM56_791.pdf
American Mineralogist 56 (1971) 791-823
The crystal chemistry of the silicate garnets
sample Uv
Locality: Washington, Nevada Co, California, USA
_database_code_amcsd 0000244
11.988 11.988 11.988 90 90 90 Ia-3d
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si     .375      0    .25      .253
Cr        0      0      0 .865      .00046 .00046 .00046 -.00018 -.00018 -.00018
Al        0      0      0 .105      .00046 .00046 .00046 -.00018 -.00018 -.00018
Fe        0      0      0 .025      .00046 .00046 .00046 -.00018 -.00018 -.00018
Ti        0      0      0 .005      .00046 .00046 .00046 -.00018 -.00018 -.00018
Ca     .125      0    .25 .997      .00049 .00074 .00074       0       0  .00015
Mn     .125      0    .25 .003      .00049 .00074 .00074       0       0  .00015
O    .03991 .04737 .65354           .00102 .00076 .00058 0.00002 -.00018 -.00009
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Uvarovite
Download hom/uvarovite.pdf
Wildner M, Andrut M
Download am/vol86/AM86_1231.pdf
American Mineralogist 86 (2001) 1231-1251
The crystal chemistry of birefringent natural uvarovites: Part II.
Single-crystal X-ray structures
Sample: Sar-k12
_database_code_amcsd 0002723
11.965 11.965 11.965 90 90.14 90.01 I-1
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   .12500 -.00015  .25003      .0056  .0041  .0063  .0063  .0000 -.0001  .0009
Ca2   .37504 -.00012  .75000      .0056  .0041  .0064  .0063  .0000 -.0002 -.0011
Ca3   .24999  .12501  .00000      .0056  .0065  .0040  .0064 -.0001  .0009  .0000
Ca4   .74998  .37501 -.00003      .0056  .0065  .0039  .0065 -.0001 -.0013  .0000
Ca5   .00003  .25016  .12503      .0056  .0064  .0063  .0040  .0010 -.0000  .0000
Ca6  -.00001  .75019  .37484      .0056  .0065  .0063  .0041 -.0011 -.0002  .0000
Cr1        0       0       0 .861 .0038  .0040  .0036  .0037 -.0000 -.0000 -.0001
Al1        0       0       0 .139 .0038  .0040  .0036  .0037 -.0000 -.0000 -.0001
Cr2      1/2       0     1/2 .524 .0039  .0040  .0036  .0039 -.0001 -.0002  .0001
Al2      1/2       0     1/2 .476 .0039  .0040  .0036  .0039 -.0001 -.0002  .0001
Cr3        0     1/2     1/2 .910 .0040  .0042  .0038  .0039 -.0000 -.0001 -.0000
Al3        0     1/2     1/2 .090 .0040  .0042  .0038  .0039 -.0000 -.0001 -.0000
Cr4      1/2     1/2       0 .572 .0040  .0042  .0039  .0038  .0001 -.0003  .0001
Al4      1/2     1/2       0 .428 .0040  .0042  .0039  .0038  .0001 -.0003  .0001
Cr5      3/4     .25     .25 .644 .0039  .0041  .0037  .0041 -.0000 -.0003  .0001
Al5      3/4     .25     .25 .356 .0039  .0041  .0037  .0041 -.0000 -.0003  .0001
Cr6      3/4     3/4     3/4 .929 .0038  .0039  .0037  .0039  .0000 -.0002 -.0000
Al6      3/4     3/4     3/4 .071 .0038  .0039  .0037  .0039  .0000 -.0002 -.0000
Cr7      .25     .25     3/4 .866 .0039  .0041  .0038  .0039 -.0001 -.0002 -.0000
Al7      .25     .25     3/4 .134 .0039  .0041  .0038  .0039 -.0001 -.0002 -.0000
Cr8      .25     3/4     .25 .543 .0040  .0042  .0037  .0041 -.0002 -.0003 -.0001
Al8      .25     3/4     .25 .457 .0040  .0042  .0037  .0041 -.0002 -.0003 -.0001
Si1   .37495 -.00071  .25061      .0041  .0040  .0041  .0042  .0000 -.0002 -.0000
Si2   .12497 -.00041  .74957      .0041  .0040  .0041  .0042 -.0002 -.0001  .0000
Si3   .24989  .37564 -.00012      .0047  .0052  .0041  .0048 -.0001 -.0003  .0001
Si4   .75012  .12560 -.00021      .0047  .0047  .0041  .0052 -.0002 -.0003  .0000
Si5  -.00044  .24941  .37512      .0041  .0043  .0042  .0039 -.0001 -.0001 -.0001
Si6   .00055  .74938  .12496      .0044  .0048  .0045  .0041 -.0000 -.0002  .0002
O1    .03881  .04655  .65278      .0054  .0053  .0062  .0046  .0003 -.0006  .0004
O2    .46096 -.04767  .15413      .0051  .0057  .0055  .0042  .0004  .0007 -.0002
O3   -.03881  .54625 -.15262      .0055  .0055  .0064  .0045 -.0003 -.0004 -.0009
O4    .53912  .45266 -.65393      .0053  .0051  .0063  .0045 -.0002  .0005  .0001
O5    .65383  .03933  .04743      .0056  .0049  .0061  .0059 -.0001  .0001 -.0006
O6    .15274  .46185 -.04671      .0055  .0048  .0058  .0060  .0001 -.0003  .0002
O7   -.15286 -.03829  .54666      .0055  .0046  .0058  .0061  .0002 -.0003 -.0003
O8   -.65373  .53922  .45255      .0055  .0050  .0058  .0057  .0000  .0000  .0001
O9    .04682  .65255  .03857      .0055  .0058  .0051  .0055  .0003  .0003 -.0001
O10  -.04686  .15266  .46143      .0054  .0059  .0053  .0050 -.0006  .0004  .0002
O11   .54718 -.15407 -.03896      .0053  .0060  .0049  .0049 -.0005  .0000 -.0005
O12   .45301 -.65406  .53900      .0055  .0060  .0047  .0058  .0003 -.0001  .0000
O13   .79663  .28823 -.40270      .0055  .0065  .0050  .0050  .0003 -.0001 -.0003
O14   .70279  .71067  .09642      .0054  .0059  .0058  .0045 -.0003  .0000  .0001
O15   .29759  .21072  .40398      .0054  .0058  .0061  .0042  .0003  .0001 -.0001
O16   .20298  .78818  .90310      .0056  .0063  .0058  .0047 -.0001 -.0002  .0001
O17   .78908  .90396  .20299      .0053  .0054  .0044  .0060 -.0003 -.0001 -.0006
O18   .21081  .40426  .29702      .0054  .0052  .0050  .0058  .0003 -.0005  .0004
O19   .71129  .09750  .70299      .0054  .0053  .0051  .0060 -.0003  .0002  .0004
O20   .28886 -.40303  .79688      .0053  .0054  .0046  .0058  .0002  .0001 -.0003
O21   .40410  .29770  .21084      .0051  .0042  .0061  .0050  .0004  .0003 -.0005
O22   .90263  .20371  .78876      .0057  .0051  .0061  .0059 -.0009  .0001 -.0004
O23  -.40396  .79750  .28903      .0053  .0044  .0060  .0054 -.0004  .0003 -.0001
O24   .09705  .70338  .71098      .0054  .0048  .0064  .0050  .0006 -.0001  .0002
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Uvarovite
Download hom/uvarovite.pdf
Wildner M, Andrut M
Download am/vol86/AM86_1231.pdf
American Mineralogist 86 (2001) 1231-1251
The crystal chemistry of birefringent natural uvarovites: Part II.
Single-crystal X-ray structures
Sample: Sar-899
_database_code_amcsd 0002724
11.959 16.958 16.958 90 90 90 *Fddd
.125 .125 .125
atom          x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca11256  .00019  .06251 -.18750      .0056  .0063  .0051  .0053 -.0007  .0007 -.0011
Ca23       -1/8    -1/8    -1/8      .0055  .0039  .0053  .0074      0      0      0
Ca34       -3/8    -3/8    -3/8      .0055  .0039  .0072  .0055      0      0      0
Cr11367       0       0       0 .888 .0038  .0037  .0036  .0040 -.0000  .0001  .0000
Al11367       0       0       0 .112 .0038  .0037  .0036  .0040 -.0000  .0001  .0000
Cr22458       0       0    -1/2 .535 .0036  .0035  .0036  .0037  .0000  .0000 -.0001
Al22458       0       0    -1/2 .465 .0036  .0035  .0036  .0037  .0000  .0000 -.0001
Si11256  .00068 -.06221 -.31277      .0041  .0041  .0038  .0043  .0001  .0001 -.0001
Si234   -.37565    -1/8    -1/8      .0041  .0037  .0040  .0045      0      0  .0002
O1      -.04628  .30693 -.34570      .0055  .0059  .0056  .0051 -.0001  .0006  .0001
O2       .04757  .34657 -.80752      .0052  .0058  .0045  .0053  .0004 -.0000  .0004
O3      -.03936 -.30325 -.35060      .0055  .0057  .0050  .0057 -.0002 -.0002 -.0007
O4      -.46170 -.59976 -.55307      .0056  .0056  .0065  .0047  .0000  .0004 -.0005
O5      -.65255 -.00410 -.04280      .0054  .0050  .0052  .0061  .0003  .0002  .0003
O6       .15414 -.29305 -.25395      .0055  .0047  .0061  .0056  .0001 -.0006  .0004
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Uvarovite
Download hom/uvarovite.pdf
Wildner M, Andrut M
Download am/vol86/AM86_1231.pdf
American Mineralogist 86 (2001) 1231-1251
The crystal chemistry of birefringent natural uvarovites: Part II.
Single-crystal X-ray structures
Sample: Ska-1
_database_code_amcsd 0002725
11.925 11.926 11.926 90.04 90.10 90.04 I-1
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   .12514 -.00024  .25007      .0056  .0040  .0063  .0066  .0001  .0000  .0008
Ca2   .37506 -.00017  .74998      .0056  .0039  .0062  .0066  .0001 -.0001 -.0012
Ca3   .25012  .12498 -.00000      .0056  .0062  .0040  .0066 -.0000  .0009 -.0002
Ca4   .75014  .37491 -.00009      .0056  .0062  .0039  .0067  .0000 -.0010 -.0001
Ca5  -.00003  .25016  .12501      .0056  .0062  .0063  .0043  .0010  .0001 -.0002
Ca6   .00011  .75006  .37495      .0056  .0063  .0064  .0042 -.0009  .0001 -.0002
Cr1        0       0       0 .746 .0041  .0040  .0039  .0042 -.0000 -.0001 -.0001
Al1        0       0       0 .254 .0041  .0040  .0039  .0042 -.0000 -.0001 -.0001
Cr2      1/2       0     1/2 .347 .0037  .0035  .0036  .0040 -.0001  .0001 -.0002
Al2      1/2       0     1/2 .653 .0037  .0035  .0036  .0040 -.0001  .0001 -.0002
Cr3        0     1/2     1/2 .431 .0040  .0040  .0038  .0042 -.0001 -.0001 -.0001
Al3        0     1/2     1/2 .569 .0040  .0040  .0038  .0042 -.0001 -.0001 -.0001
Cr4      1/2     1/2       0 .526 .0037  .0034  .0035  .0040  .0000 -.0000 -.0002
Al4      1/2     1/2       0 .474 .0037  .0034  .0035  .0040  .0000 -.0000 -.0002
Cr5      3/4     .25     .25 .483 .0040  .0039  .0039  .0042  .0001 -.0000 -.0001
Al5      3/4     .25     .25 .517 .0040  .0039  .0039  .0042  .0001 -.0000 -.0001
Cr6      3/4     3/4     3/4 .722 .0039  .0038  .0038  .0041  .0002 -.0001 -.0001
Al6      3/4     3/4     3/4 .278 .0039  .0038  .0038  .0041  .0002 -.0001 -.0001
Cr7      .25     .25     3/4 .709 .0040  .0039  .0040  .0042  .0001  .0001 -.0002
Al7      .25     .25     3/4 .291 .0040  .0039  .0040  .0042  .0001  .0001 -.0002
Cr8      .25     3/4     .25 .280 .0035  .0032  .0034  .0039  .0001  .0000 -.0002
Al8      .25     3/4     .25 .720 .0035  .0032  .0034  .0039  .0001  .0000 -.0002
Si1   .37519 -.00085  .25005      .0040  .0036  .0039  .0046  .0001 -.0000 -.0001
Si2   .12518 -.00052  .74975      .0040  .0035  .0040  .0044  .0001 -.0002 -.0002
Si3   .24957  .37549  .00001      .0040  .0040  .0034  .0045  .0001 -.0002 -.0001
Si4   .74930  .12542 -.00040      .0040  .0040  .0035  .0045  .0001 -.0003 -.0000
Si5  -.00039  .25029  .37519      .0040  .0041  .0042  .0038 -.0001 -.0001 -.0003
Si6   .00086  .74925  .12516      .0040  .0040  .0041  .0039  .0001  .0000 -.0002
O1    .03883  .04655  .65277      .0056  .0054  .0064  .0049  .0007 -.0004  .0005
O2    .46161 -.04652 1.15259      .0053  .0050  .0060  .0049  .0002  .0005 -.0006
O3   -.03863  .54557 -.15223      .0057  .0059  .0060  .0052  .0000 -.0004 -.0005
O4    .53897  .45257 -.65358      .0054  .0057  .0060  .0046 -.0003  .0007  .0004
O5    .65230  .03907  .04603      .0054  .0044  .0052  .0066 -.0004  .0012  .0002
O6   1.15216  .46157 -.04633      .0053  .0046  .0050  .0063  .0004 -.0003  .0003
O7   -.15311 -.03832  .54684      .0054  .0049  .0054  .0059 -.0003 -.0002 -.0006
O8   -.65379  .53901  .45298      .0055  .0047  .0055  .0062  .0006  .0007 -.0007
O9    .04659  .65203  .03842      .0055  .0060  .0049  .0055  .0003  .0008 -.0003
O10  -.04678 1.15310  .46142      .0055  .0063  .0049  .0054 -.0004  .0006  .0003
O11   .54633 -.15250 -.03855      .0054  .0060  .0048  .0055 -.0006 -.0001 -.0006
O12   .45357 -.65371  .53922      .0053  .0060  .0045  .0055  .0002 -.0004  .0002
O13   .79631  .28818 -.40198      .0054  .0060  .0048  .0054  .0004 -.0002  .0005
O14   .70326  .71074  .09667      .0055  .0062  .0053  .0050  .0001  .0006 -.0007
O15   .29731  .21101 1.40331      .0055  .0055  .0059  .0050 -.0005  .0008  .0000
O16   .20406  .78855  .90276      .0055  .0058  .0056  .0052 -.0005 -.0001 -.0005
O17   .78871  .90351  .20299      .0055  .0054  .0048  .0064 -.0004 -.0003 -.0007
O18   .21081 1.40372  .29664      .0053  .0049  .0047  .0064  .0004  .0000  .0004
O19   .71134  .09825  .70410      .0054  .0048  .0051  .0061 -.0005  .0005  .0003
O20   .28853 -.40247  .79675      .0054  .0050  .0045  .0068  .0003  .0007 -.0006
O21  1.40345  .29670  .21078      .0054  .0045  .0062  .0054  .0007  .0007 -.0004
O22   .90179  .20424  .78851      .0054  .0048  .0060  .0053 -.0004 -.0004 -.0006
O23  -.40363  .79704  .28885      .0056  .0049  .0066  .0053 -.0005  .0006  .0001
O24   .09746  .70340  .71145      .0053  .0046  .0058  .0055  .0010 -.0002  .0000
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Uvarovite
Download hom/uvarovite.pdf
Righter K, Sutton S, Danielson L, Pando K, Schmidt G, Yang H,
Berthet S, Newville M, Choi Y, Downs R T, Malavergne V
 
American Mineralogist 96 (2011) 1278-1290
The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt
pairs and the relation to terrestrial mantle V and Cr content
Locality: Saranovskiy mine, Sarany, Ural Mountains, Russia
Note: R060477
_database_code_amcsd 0018455
11.9204 11.9204 11.9204 90 90 90 Ia3d
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    .125     0   .25      .0026  .0014  .0032  .0032      0      0  .0007
Cr       0     0     0 .575 .0067  .0067  .0067  .0067  .0001  .0001  .0001
Al       0     0     0  .41 .0067  .0067  .0067  .0067  .0001  .0001  .0001
Ti       0     0     0 .015 .0067  .0067  .0067  .0067  .0001  .0001  .0001
Si    .375     0   .25      .0032  .0036  .0031  .0031      0      0      0
O    .0388 .0466 .6526             .0097  .0079  .0104  .0005 -.0004  .0003
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View JMOL 3-D Structure (permalink)
 
Uvarovite
Download hom/uvarovite.pdf
Andrut M, Wildner M
 
Physics and Chemistry of Minerals 29 (2002) 595-608
The crystal chemistry of birefringent natural uvarovites. Part III. Application of the
superposition model of crystal fields with a characterization of synthetic cubic uvarovite
Sample: Uvasyn-22
_database_code_amcsd 0008734
11.9973 11.9973 11.9973 90 90 90 Ia-3d
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .125      0    .25 .0056  .0040  .0063  .0063      0      0  .0009
Cr        0      0      0 .0034  .0034  .0034  .0034  .0000  .0000  .0000
Si     .375      0    .25 .0032  .0030  .0033  .0033      0      0      0
O    .03917 .04770 .65433 .0052  .0051  .0059  .0045  .0005 -.0007  .0002
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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