Juabite
Burns P C, Clark C M, Gault R A
The Canadian Mineralogist 38 (2000) 809-816
Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision
of the chemical formula
_database_code_amcsd 0005685
8.9903 10.1197 8.9959 102.654 92.432 70.432 P-1
atom         x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca         1/2   1/2      0 .0248  .0468  .0188  .0059 -.0083 -.0050  .0018
Cu(1)   -.1919 .7993  .0021 .0117  .0085  .0258  .0029 -.0074 -.0032  .0055
Cu(2)    .2967 .8412 -.4883 .0104  .0071  .0222  .0045 -.0063 -.0044  .0065
Cu(3)    .3921 .5072 -.3755 .0142  .0124  .0202  .0093 -.0025 -.0036  .0072
Cu(4)    .6845 .8487 -.3708 .0129  .0066  .0323  .0031 -.0095 -.0031  .0066
Cu(5)   -.0734 .7991  .3909 .0154  .0095  .0340  .0060 -.0104 -.0051  .0073
Te(1)    .4568 .8379 -.1518 .0114  .0099  .0216  .0056 -.0081 -.0027  .0047
Te(2)    .1303 .8342  .1698 .0196  .0162  .0358  .0108 -.0121 -.0037  .0086
As(1)    .0656 .7706 -.2751 .0097  .0056  .0220  .0031 -.0060 -.0040  .0046
As(2)    .5743 .7899 -.7274 .0082  .0061  .0178  .0018 -.0046 -.0031  .0041
O(1)     -.066  .798   .178 .0167
O(2)     -.003  .814  -.095 .0175
O(3)      .185  .866  -.290 .0145
O(4)      .121  .840   .388 .0176
O(5)     -.328  .835  -.163 .0103
O(6)     -.091  .820  -.388 .0122
O(7)      .469  .848  -.364 .0192
OH(8)     .390  .597  -.548 .0166
O(9)      .387  .888  -.660 .0104
O(10)     .607  .842  -.883 .0095
O(11)     .601  .614  -.773 .0131
O(12)     .265  .654   .107 .0381
O(13)     .163  .594  -.336 .0197
O(14)     .704  .818  -.593 .0142
Wat(15)   .039  .552   .356 .0439
Wat(16)  -.131  .558  -.057 .0527
O(17)     .490  .645  -.177 .0169