Johillerite
Tait K T, Hawthorne F C
The Canadian Mineralogist 42 (2004) 717-722
Johillerite from Tolbachik, Kamchatka Peninsula, Russia: Crystal-structure
refinement and chemical composition
Locality: Tolbachik, Kamchatka Peninsula, Russia
_database_code_amcsd 0005933
6.7520 12.739 11.068 90 100.37 90 I2/a
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Cu2+A1    .25  .00236     .5       .0126  .0206  .0060  .0111       0  .0021       0
NaA2      .25   .0071      0  .77  .0329   .038   .044  .0186       0  .0077       0
Pb2+A2    .25   .0071      0  .01  .0329   .038   .044  .0186       0  .0077       0
CaA2      .25   .0071      0  .01  .0329   .038   .044  .0186       0  .0077       0
KA2       .25   .0071      0  .03  .0329   .038   .044  .0186       0  .0077       0
MgM1      .25  .73963      0  .79  .0170  .0212  .0155  .0131       0 -.0001       0
Cu2+M1    .25  .73963      0  .21  .0170  .0212  .0155  .0131       0 -.0001       0
MgM2   .08832  .15530 .21465  .65  .0138  .0192  .0096  .0120  -.0004  .0011   .0010
Cu2+M2 .08832  .15530 .21465 .195  .0138  .0192  .0096  .0120  -.0004  .0011   .0010
Fe3+M2 .08832  .15530 .21465 .125  .0138  .0192  .0096  .0120  -.0004  .0011   .0010
AlM2   .08832  .15530 .21465  .03  .0138  .0192  .0096  .0120  -.0004  .0011   .0010
As5+T1    .25  .28556      0      .01089  .0157  .0073  .0106       0 .00495       0
As5+T2 .10551  .88564 .23053      .01094  .0150  .0078  .0105 -.00062 .00335 -.00067
O1      .0537  .00302  .1679       .0171  .0232  .0075  .0209   .0026  .0048   .0011
O2      .3030 -.10913  .6161       .0144  .0233  .0097  .0093  -.0004  .0008   .0009
O3      .1564  .37986 -.1062       .0129  .0194  .0075  .0110   .0029  .0009   .0010
O4      .2783   .8299  .1588       .0145  .0174  .0118  .0152   .0002  .0056  -.0029
O5     -.1034   .8113  .2156       .0141  .0169  .0124  .0137  -.0041  .0046  -.0018
O6      .4394  .21446 -.0374       .0131  .0180  .0117  .0103   .0019  .0046  -.0009