Chondrodite
Friedrich A, Lager G A, Kunz M, Chakoumakos B C, Smyth J R, Schultz A J
American Mineralogist 86 (2001) 981-989
Temperature-dependent single-crystal neutron diffraction study of natural
chondrodite and clinohumite
Sample from Tilley Foster Mine, Brewster, NY at T = 10 K
_database_code_amcsd 0002668
4.7321 10.2641 7.8673 109.052 90 90 P2_1/b
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg(1)    .5      0    .5  .89 .0055 .00398 .00584 .00492 .00006 .00005 .00021
Fe(1)    .5      0    .5  .11 .0055 .00398 .00584 .00492 .00006 .00005 .00021
Mg(2) .0102 .17382 .3069      .0050 .00345 .00476 .00582 .00036 .00030 .00095
Mg(3) .4925 .88651 .0795      .0060 .00501 .00612 .00599 .00044 .00038 .00127
Si1   .0761  .1443 .7041      .0048  .0034  .0050  .0052 .00021 .00025 .00094
O1    .7789 .00113 .2939      .0061 .00528 .00586 .00650 .00000 .00001 .00153
O2    .7273 .24056 .1251      .0061 .00456 .00592 .00612 .00040 .00068 .00024
O3    .2241 .16887 .5284      .0063 .00483 .00708 .00617 .00011 .00018 .00195
O4    .2651 .85480 .2947      .0063 .00425 .00684 .00668 .00023 .00027 .00143
O(H)  .2590 .05677 .0987 .422 .0080 .00788 .00694 .00832 .00094 .00235 .00185
H     .0896  .0139 .0192 .422 .0201  .0100  .0232  .0200  .0029  .0034  .0003
F     .2590 .05677 .0987 .578 .0080 .00788 .00694  .0083 .00094 .00235 .00185