Dietzeite Burns P C, Hawthorne F C The Canadian Mineralogist 31 (1993) 313-319 The crystal structure of dietzeite, Ca2H20(IO3)2(CrO4), a heteropolyhedral framework mineral _database_code_amcsd 0005297 10.118 7.238 13.965 90 106.62 90 P2_1/c atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) I1 .05005 .20302 .77376 .0095 .0100 .0084 .0103 -.0005 .0034 .0000 I2 .25614 .23921 .57448 .0103 .0100 .0103 .0113 .0012 .0040 .0020 Cr .43076 -.2029 .5785 .0113 .0098 .0128 .0114 .0002 .0032 .0027 Ca1 .6994 .0852 .70392 .0119 .0108 .0127 .0112 .0019 .0014 .0000 Ca2 .8994 .2563 .48855 .0117 .0141 .0104 .0106 -.0011 .0036 -.0015 O1 .1268 .4082 .8413 .0163 .0189 .0164 .0138 -.0091 .0052 -.0074 O2 -.0504 .3057 .6581 .0174 .0232 .0146 .0115 .0028 .0004 .0009 O3 .2744 .2999 .7033 .0170 .0233 .0134 .0132 -.0020 .0033 -.0032 O4 .4664 -.0091 .6456 .0179 .0161 .0178 .0166 -.0046 -.0004 -.0008 O5 .3524 -.3467 .6357 .0203 .0248 .0172 .0216 -.0064 .0113 .0022 O6 .1290 .0595 .5639 .0162 .0164 .0117 .0211 -.0059 .0066 -.0039 O7 .6813 .1538 .5301 .0183 .0177 .0239 .0117 .0009 .0014 .0001 O8 .8668 .5910 .4952 .0155 .0154 .0099 .0179 .0038 -.0005 .0036 O9 .9060 .1831 .8250 .0134 .0118 .0172 .0122 -.0042 .0049 -.0024 O10 .5718 -.2924 .5656 .0267 .0240 .0342 .0277 .0126 .0166 .0121 Wat .6109 .3866 .6837 .0318 .0585 .0207 .0192 .0193 .0159 .0073