Pyrrhotite
Liles D C, de Villiers J P R
American Mineralogist 97 (2012) 257-261
Redetermination of structure of 5C pyrrhotite at low
temperature and at room temperature
T = 120 K
Locality: Silberberg mine, Bodenmais, Germany
_database_code_amcsd 0020728
6.8673 28.6536 6.8592 90 119.975 90 P2_1
atom       x       y      z  occ  Uiso
Fe1   .46648  .21539  .7509      .0084
Fe2    .0001 -.09022  .7288 .500 .0099
Fe3    .5014  .11532  .7334      .0141
Fe4    .0191 -.08458  .2765      .0110
Fe5   -.0113  .01172 .76610      .0097
Fe6    .5269  .31543  .7506      .0108
Fe7  -.03518  .01518  .2126      .0093
Fe8    .9841  .31513  .7582      .0101
Fe9    .0038 -.17982  .7731 .496 .0084
Fe10  -.4702  .01493  .7818      .0075
Fe11   .4744 -.08539  .7246      .0095
Fe12   .5083  .01958  .2333 .877 .0086
Fe13   .0110  .11568  .2556      .0128
Fe14   .4937  .21045  .2252 .878 .0098
Fe15  .01268  .21833  .2772      .0090
Fe16  .03225  .21504  .7466      .0080
Fe17   .4970 -.18685  .7388      .0129
Fe18  -.0118  .11425  .7441      .0119
Fe19   .4964   .1149  .2644 .283 .0159
Fe20  -.5049 -.08322  .2569      .0126
S1     .3310 -.02954  .4159      .0039
S2     .3322 -.03473  .9162      .0053
S3    -.1623  .16557  .4176      .0049
S4     .1645 -.13736  .5816      .0067
S5    -.1712 -.04062  .9167      .0061
S6    -.1697 -.03387  .4155      .0049
S7     .6690  .26050  .5852      .0058
S8     .3320  .16087  .9126      .0071
S9     .1629  .06521  .0804      .0052
S10    .1641  .06239  .5809      .0057
S11    .3337  .16702  .4153      .0054
S12    .6688  .26564  .0844      .0057
S13    .1688  .26496  .0849      .0044
S14   -.3378 -.13449  .0812      .0056
S15    .1709  .27156  .5879      .0033
S16    .8355  .16862  .9169      .0049
S17    .1646 -.13160  .0833      .0056
S18   -.3416 -.13465  .5790      .0058
S19    .6674  .07015  .0801      .0046
S20    .6658  .06412  .5815      .0052