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 = 150 K
_database_code_amcsd 0007363
13.0244 8.8006 5.8445 90 90.233 90 P2_1/a
atom      x     y     z  occ Biso
Ca    .8141 .3683 .7489      2.49
FeM11 .8883 .0520 .0101 .925  .66
MnM11 .8883 .0520 .0101 .075  .66
FeM12 .8904 .0502 .4891 .975  .66
MnM12 .8904 .0502 .4891 .025  .66
FeM2  .9414 .7444 .2496   .9  .54
MnM2  .9414 .7444 .2496   .1  .54
Si1   .9596 .3675 .2426      1.04
Si2   .6773 .2296 .2471      1.04
O1    .0066 .0262 .7319      1.46
O21   .9376 .2727 .0117      1.46
O22   .9333 .2731 .4856      1.46
O5    .5855 .1036 .2584      1.46
O6    .6002 .0271 .7520      1.46
O3    .7776 .1078 .2562      1.46
O41   .6684 .3312 .0162      1.46
O42   .6721 .3311 .4789      1.46
O7    .7961 .1060 .7425      1.46
H     .7377 .0607 .7378      2.04