Chondrodite
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 700 K
_database_code_amcsd 0009018
4.7426 10.3082 7.9010 109.072 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)
Mg1      .5      0     .5 .88  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Fe1      .5      0     .5 .12  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Mg2   .0106 .17317 .30750     .01029  .0101  .0096  .0117  .0005 -.0002  .0043
Mg3   .4913 .88585 .07874     .01097  .0111  .0114  .0107 -.0001 -.0012  .0040
Si    .0764 .14429 .70404     .00703  .0047  .0082  .0079 -.0002 -.0000  .0022
O1   .77955 .00036 .29422     .01037  .0097  .0085  .0137  .0002  .0004  .0047
O2   .72627 .24116 .12571     .01072  .0094  .0102  .0100 -.0003  .0008 -.0001
O3   .22333 .16910 .52937     .01046  .0089  .0142  .0097 -.0003  .0003  .0058
O4   .26330 .85451 .29455     .01019  .0054  .0128  .0122 -.0001  .0002  .0039
Oh5    .247  .0531  .0923 .43  .0135  .0129  .0130  .0144  .0010  .0026  .0041
H     .0907  .0141  .0201 .43  .0344   .023   .039   .035 -.0055 -.0075   .004
F     .2685  .0589  .1038 .57  .0135  .0129  .0130  .0144  .0010  .0026  .0041