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