Ilvaite
Ghose S, Hewat A W, Marezio M
Physics and Chemistry of Minerals 11 (1984) 67-74
A neutron powder diffraction study of the crystal and
magnetic structures of ilvaite from 305 K to 5 K - a mixed
valence iron silicate with an electronic transition
Sample: T = 5 K
_database_code_amcsd 0007361
13.0229 8.7977 5.8428 90 90.234 90 P2_1/a
atom      x     y     z  occ Biso
Ca    .8134 .3705 .7313      1.90
FeM11 .8890 .0554 .0101       .48
FeM12 .8896 .0470 .4944       .48
FeM2  .9410 .7438 .2416 .925  .63
MnM2  .9410 .7438 .2416 .075  .63
Si1   .9649 .3681 .2223       .56
Si2   .6792 .2291 .2561       .56
O1    .0102 .0285 .7339       .90
O21   .9379 .2731 .0111       .90
O22   .9339 .2725 .4853       .90
O5    .5857 .1030 .2607       .90
O6    .6004 .0260 .7526       .90
O3    .7784 .1086 .2639       .90
O41   .6670 .3280 .0159       .90
O42   .6716 .3368 .4790       .90
O7    .7977 .1051 .7381       .90
H     .7336 .0610 .7386      1.48