Clinohumite
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 Kukh-i-Lal, Pamir, Tadjikistan at T = 20 K
_database_code_amcsd 0002665
4.7362 10.226 13.635 100.904 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)c    .5     0     .5      .0031  .0024  .0041  .0032 .00042 .00049 .00148
Mg(1)n .4974 .9463 .27424      .0032  .0030  .0043  .0023 .00023 .00047 .00058
Mg(2)5 .0108 .1403 .16970      .0035  .0038  .0037  .0031 .00091 .00021 .00117
Mg(2)6 .5086 .2495 .38812      .0033  .0036  .0032  .0033 .00044 .00057 .00115
Mg(3)  .4925 .8764  .0436 .892 .0020  .0027  .0015  .0024  .0004  .0005  .0021
Ti(3)  .4925 .8764  .0436 .108 .0020  .0027  .0015  .0024  .0004  .0005  .0021
Si1    .0735 .0663  .3892      .0022  .0018  .0030  .0022  .0003  .0006  .0014
Si2    .0756 .1766  .8350      .0023  .0025  .0027  .0017  .0002  .0000  .0004
O1,1   .7329 .0642 .38787      .0031  .0026  .0042  .0028 .00029  .0009 .00108
O1,2   .2785 .4193 .38777      .0035  .0037  .0040  .0032 .00015  .0002 .00142
O1,3   .2235 .1121 .29319      .0034  .0036  .0044  .0027 .00025  .0000 .00140
O1,4   .2227 .1586 .48637      .0037  .0045  .0037  .0029 .00040  .0005 .00037
O2,1   .2357 .3229 .16281      .0032  .0022  .0042  .0035 .00019  .0003 .00114
O2,2   .7777 .9688 .16277      .0033  .0041  .0030  .0031 .00019  .0003 .00095
O2,3   .7249 .2796 .26237      .0033  .0039  .0045  .0018 .00023  .0002 .00131
O2,4   .7279 .2271 .06967      .0034  .0033  .0035  .0033 .00010  .0004 .00001
O(H)   .2613 .0461 .05508  .52 .0060  .0077  .0051  .0054 .00047  .0028 .00094
H       .088 .0118  .0122  .42 .0205  .0140  .0245  .0216  .0031  .0058  .0002
F      .2613 .0461 .05508  .49 .0060  .0077  .0051  .0054  .0005  .0028 .00094