American Mineralogist Crystal Structure Database

7 matching records for this search.

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
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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: 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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Manganlotharmeyerite
Download hom/manganlotharmeyerite.pdf
Brugger J, Krivovichev S V, Kolitsch U, Meisser N, Andrut M, Ansermet S, Burns P C
Download cm/vol40/CM40_1597.pdf
The Canadian Mineralogist 40 (2002) 1597-1608
Description and crystal structure of manganlotharmeyerite,
Ca(Mn,_,Mg)2{AsO4,[AsO2(OH)2]}2(OH,H2O)2, from the Starlera Mn-deposit,
Swiss Alps, and a redefinition of lotharmeyerite
Locality: Starlera Mn-deposit, Swiss Alps
_database_code_amcsd 0005797
9.043 6.2314 7.3889 90 116.392 90 C2/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        0     0      0     .0144  .0166  .0150  .0105      0  .0051      0
Mn2      .25   .25     .5 .59 .0099  .0096  .0101  .0080  .0000  .0021  .0002
Mg2      .25   .25     .5 .17 .0099  .0096  .0101  .0080  .0000  .0021  .0002
As    .91498    .5 .20524     .0102  .0089  .0112  .0089      0  .0026      0
OH1    .3385    .5  .4098 .59 .0195   .015   .022   .019      0   .006      0
Wat1   .3385    .5  .4098 .41 .0195   .015   .022   .019      0   .006      0
O2     .3170     0  .3573     .0190   .019   .019   .022      0   .012      0
O3     .0351 .2793  .2468     .0186  .0168  .0164   .020  .0008  .0061 -.0010
O4     .2420 .5000  .0237     .0222   .017   .031   .013      0   .002      0
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Satterlyite
Download hom/satterlyite.pdf
Kolitsch U, Andrut M, Giester G
 
European Journal of Mineralogy 14 (2002) 127-133
Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure
and infrared absorption spectra
Note: z-coordinate of O6 altered by author, August 2003.
_database_code_amcsd 0006926
11.355 11.355 5.0394 90 90 120 P31m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
FeM1 .32918 .85077 .01101 .838 .01032 .00807 .01038 .00916 .00211  .00059 -.00229
MgM1 .32918 .85077 .01101 .162 .01032 .00807 .01038 .00916 .00211  .00059 -.00229
FeM2 .17508 .85376 .50440 .706  .0087 .00898  .0079 .00909 .00413 -.00001  .00038
MgM2 .17508 .85376 .50440 .294  .0087 .00898  .0079 .00909 .00413 -.00001  .00038
P1        0      0 .27825      .00745  .0069  .0069  .0085 .00345       0       0
P2      1/3    2/3 .52733      .00671 .00744 .00744  .0052  .0026       0       0
P3   .34138 .34138 .97775      .00676 .00686 .00686  .0068 .00362 -.00074 -.00074
O1   .87239 .87239  .3697       .0192  .0090  .0090  .0377  .0029   .0058   .0058
O2   .27631 .75462  .6355      .01207  .0152  .0130  .0126  .0105  -.0010  -.0013
O3   .26833 .26833  .7203       .0119  .0137  .0137  .0118  .0096  -.0053  -.0053
O4   .12718 .75025  .1427       .0120  .0085  .0150  .0094  .0035  -.0018  -.0016
O5   .47330 .47330  .9051       .0134  .0095  .0095  .0170  .0015   .0004   .0004
O6      1/3    2/3  .2187       .0162  .0213  .0213  .0060 .01065       0       0
Oh1  .62619 .62619  .3250       .0112  .0121  .0121  .0082  .0052  -.0002  -.0002
Oh2  .72336 .72336  .8162       .0116  .0127  .0127  .0100  .0069  -.0028  -.0028
Oh3       0      0 -.0305       .0397  .0549  .0549  .0095 .02745       0       0
H1     .563   .563   .416       .0240
H2     .805   .805   .904       .0210
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Sailaufite
 
Wildner M, Tillmanns E, Andrut M, Lorenz J
 
European Journal of Mineralogy 15 (2003) 555-564
Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from
Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship
to mitridatite-group minerals and pararobertsite
Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany
_database_code_amcsd 0007000
11.253 19.628 8.932 90 100.05 90 Cm
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
CaA1* .21795 .15628   .9255 .207  .0142  .0128  .0189  .0109  -.0007  .0019 -.0005
NaA1* .21795 .15628   .9255 .793  .0142  .0128  .0189  .0109  -.0007  .0019 -.0005
CaA2*  .7553      0   .9254 .046  .0130  .0186  .0120  .0082       0  .0019      0
NaA2*  .7553      0   .9254 .954  .0130  .0186  .0120  .0082       0  .0019      0
CaA3* .97944 .17535  .58638 .987  .0115  .0121  .0105  .0117   .0008  .0016 -.0002
NaA3* .97944 .17535  .58638 .013  .0115  .0121  .0105  .0117   .0008  .0016 -.0002
Ca4   .51193      0   .5864       .0112  .0109  .0128  .0102       0  .0029      0
Mn1   .62816      0  .25465       .0061  .0044  .0078  .0063       0  .0015      0
Mn2   .10012 .16687  .24963      .00534  .0028  .0066  .0066  .00013  .0006 .00016
Mn3   .34947 .24145  .25145      .00522  .0050  .0046  .0059  -.0018  .0006 -.0004
Mn4   .86236 .08735  .24994      .00550  .0061  .0036  .0067  -.0012  .0009  .0006
Mn5   .36306 .07965 1.25199      .00544  .0062  .0044  .0059   .0014  .0014 -.0004
As1   .83715      0  .53900      .00691  .0072  .0066  .0070       0  .0013      0
As2   .42147      0  .97103      .00821  .0085  .0087  .0077       0  .0023      0
As3   .30697 .15817  .53815      .00754  .0076  .0075  .0075 -.00030  .0014 .00011
As4   .89143 .17537  .96652      .00767  .0080  .0078  .0073  .00072  .0017 .00029
C1     .1038      0   .2328       .0115   .005   .002   .030       0   .007      0
C2     .1107  .3336   .2603       .0067  .0073  .0117   .001  -.0003 -.0005 -.0007
Ow1    .1924      0   .6078       .0174   .014   .020   .018       0   .004      0
Ow2    .5288 .16292   .9100       .0235   .021   .025   .025  -.0001   .007  .0004
O1     .8747      0   .7249       .0111   .012   .015   .006       0   .000      0
O2*    .6877      0   .4770       .0100  .0015   .015   .015       0   .006      0
O3     .8939 .07107   .4685       .0090  .0101  .0101   .005  -.0045 -.0026  .0013
O4     .3573 .06936  1.0371       .0085  .0115  .0075  .0064   .0035  .0006  .0014
O5     .4058      0   .7847       .0129   .015   .018   .005       0   .000      0
O6     .5710      0   .0409       .0093   .008   .012   .009       0   .005      0
O7     .3253 .15729   .7234       .0145  .0114  .0232   .009   .0031  .0020 -.0003
O8     .1561 .15711   .4657       .0097  .0043  .0139   .011  -.0033  .0003  .0004
O9     .3694 .22778   .4728       .0080  .0095  .0078  .0072  -.0022  .0028  .0027
O10    .3730 .08885   .4715       .0098  .0118  .0090   .008   .0071  .0013 -.0012
O11    .8322 .10483  1.0369       .0104  .0147  .0086   .008  -.0055  .0019  .0012
O12   1.0419 .17590  1.0343       .0097  .0080  .0176   .002  -.0001 -.0024 -.0009
O13    .8302 .24504  1.0379       .0107  .0135  .0109   .009   .0032  .0045 -.0002
O14    .8575 .17604   .7796       .0124  .0155  .0158   .006   .0001  .0025 -.0004
O15    .2598 .15674   .2132       .0047  .0026  .0058   .005   .0001 -.0011  .0007
O16    .4378 .32466   .2933       .0069  .0068  .0041   .011   .0008  .0041 -.0007
O17    .7896      0   .2126       .0057  .0047  .0051   .006       0 -.0023      0
O18    .4666      0  1.2966       .0066   .005  .0050   .009       0  .0000      0
O19    .0491 .05692   .2336       .0103  .0056  .0071   .018   .0016  .0028 -.0001
O20    .1637 .27526   .2638       .0111  .0077  .0060   .019  -.0002  .0006  .0015
O21    .2220      0   .2507       .0101   .001   .008   .021       0   .003      0
O22   -.0047 .33592   .2489       .0120  .0042  .0075   .024   .0018  .0009  .0019
O23    .1723 .38808   .2653       .0128  .0094  .0063   .023   .0000  .0042 -.0023
O24    .0756  .0883   .7598       .0156   .016   .016   .013   .0003 -.0001 -.0012
O25    .6392 .08056   .7386       .0208  .0166  .0205   .025  -.0015  .0033 -.0080
O26   1.1209  .2469   .7418       .0207   .014  .0167   .031  -.0074  .0037 -.0112
H11     .159  .0377    .574  2/3   .057
H12     .265      0    .658  2/3   .057
H21     .474   .133    .852        .057
H22     .512   .170    .996        .057
H241    .096   .038    .727        .057
H242   -.007   .070    .755        .057
H251    .700   .107    .703        .057
H252    .607   .102    .806        .057
H261   1.104   .273    .817        .057
H262   1.175   .262    .696        .057
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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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Total number of retrieved datasets: 7
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