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 = 900 K
_database_code_amcsd 0009019
4.7501 10.3297 7.91912 109.048 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 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Fe1     .5      0     .5 .12 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Mg2  .0106 .17278  .3077     .0128  .0122  .0127  .0144  .0007 -.0004  .0055
Mg3  .4910 .88556  .0785     .0137  .0130  .0151  .0134 -.0003 -.0015  .0052
Si   .0766 .14445  .7039     .0087  .0050  .0104  .0105 -.0002 -.0002  .0031
O1   .7800 .00004 .29439     .0128  .0115  .0109  .0169  .0006  .0007  .0057
O2   .7259 .24156 .12591     .0135  .0111  .0133  .0127 -.0004  .0010 -.0006
O3   .2233 .16916 .52968     .0130  .0106  .0183  .0118 -.0005  .0005  .0074
O4   .2626 .85449 .29471     .0128  .0059  .0170  .0154 -.0001  .0004  .0050
Oh5   .247  .0529  .0921 .43 .0172  .0155  .0172  .0188  .0010  .0031  .0056
H    .0924  .0146  .0215 .43 .0410   .029   .044   .042  -.006  -.007   .004
F    .2693  .0589  .1043 .57 .0172  .0155  .0172  .0188  .0010  .0031  .0056