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 = 100 K
_database_code_amcsd 0002667
4.7345 10.2674 7.8716 109.060 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 .0060 .00568 .00538 .00548 .00019 .00001 .00048
Fe(1)    .5      0    .5  .11 .0060 .00568 .00538 .00548 .00019 .00001 .00048
Mg(2) .0102 .17377 .3069      .0054 .00476 .00497 .00568 .00002 .00031 .00114
Mg(3) .4924 .88658 .0794      .0066 .00622 .00624 .00638 .00012 .00012 .00154
Si1   .0758  .1442 .7041      .0054  .0039  .0055  .0055 .00010 .00007 .00091
O1    .7788 .00120 .2940      .0066 .00635 .00599 .00680 .00004 .00018 .00169
O2    .7272 .24065 .1252      .0066 .00572 .00582 .00642 .00004 .00060 .00024
O3    .2239 .16886 .5284      .0069 .00614 .00737 .00642 .00020 .00008 .00218
O4    .2649 .85492 .2948      .0066 .00475 .00695 .00683 .00023 .00004 .00147
O(H)  .2590 .05679 .0987 .432 .0086 .00875 .00748 .00862 .00091 .00240 .00207
H     .0885  .0135 .0194 .432 .0218  .0118  .0258  .0215  .0035  .0052  .0027
F     .2590 .05679 .0987 .568 .0086 .00875 .00748 .00862 .00091 .00240 .00207