Uvarovite
Novak G A, Gibbs G V
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
Wildner M, Andrut M
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
Wildner M, Andrut M
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
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Uvarovite
Wildner M, Andrut M
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
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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Uvarovite
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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