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