Ilvaite
Ghose S, Sen Gupta P K, Schlemper E O
American Mineralogist 70 (1985) 1248-1252
Electron ordering in ilvaite, a mixed-valence iron
silicate: crystal structure refinement at 138 K
Sample: T = 138 K
_database_code_amcsd 0001003
13.008 8.784 5.836 90 90.21 90 P2_1/a
atom       x      y      z Biso
Fe1Ao .89001 .05004 .00852 .320
Fe2Am .88996 .05218 .49051 .307
Fe3B  .94134 .74089 .24923 .307
Ca    .81261 .37020 .75256 .316
Si1   .95954 .36916  .2492 .233
Si2   .67914 .22764  .2518 .231
O1     .0090  .0294  .7379  .51
O2o    .9369  .2722  .0159  .35
O2m    .9354  .2728  .4829  .34
O3     .7774  .1102  .2553  .33
O4o    .6706  .3289  .0179  .37
O4m    .6703  .3318  .4830  .36
O5     .5848  .1008  .2524  .33
O6     .6018  .0264  .7519  .43
O7     .7980  .1096  .7441  .36
H       .741   .098   .743  3.2