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 = 100 K
_database_code_amcsd 0002664
4.7366 10.226 13.636 100.904 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      .0033  .0027  .0049  .0028 .00000  .0002 .00201
Mg(1)n .4971 .9462 .27420      .0031  .0025  .0043  .0025 .00004  .0001 .00054
Mg(2)5 .0107 .1403 .16975      .0036  .0039  .0035  .0038 .00030  .0002 .00191
Mg(2)6 .5084 .2497 .38817      .0035  .0035  .0041  .0029 .00083  .0004 .00099
Mg(3)  .4921 .8768  .0435 .886 .0016  .0026  .0009  .0022 .00104  .0001 .00237
Ti(3)  .4921 .8768  .0435 .114 .0016  .0026  .0009  .0022 .00104  .0001 .00237
Si1    .0737 .0663  .3894      .0020  .0007  .0034  .0020  .0001  .0003  .0009
Si2    .0758 .1767  .8350      .0027  .0032  .0035  .0012  .0001  .0002  .0000
O1,1   .7338 .0642 .38791      .0031  .0028  .0037  .0030 .00010 .00003 .00144
O1,2   .2782 .4193 .38780      .0034  .0035  .0035  .0035 .00054 .00031 .00105
O1,3   .2231 .1122 .29322      .0033  .0037  .0035  .0029 .00030 .00079 .00089
O1,4   .2222 .1586 .48660      .0036  .0035  .0039  .0035 .00003 .00015 .00108
O2,1   .2347 .3228 .16275      .0031  .0022  .0038  .0034 .00008 .00061 .00094
O2,2   .7771 .9689 .16261      .0034  .0040  .0030  .0035 .00003 .00006 .00105
O2,3   .7251 .2797 .26241      .0036  .0043  .0040  .0028 .00011 .00076 .00148
O2,4   .7285 .2270 .06971      .0035  .0037  .0044  .0024 .00038 .00043 .00033
O(H)   .2620 .0459 .05503  .52 .0064  .0078  .0059  .0057 .00043 .00309 .00113
H       .088 .0118  .0118  .41 .0190  .0157  .0199  .0193  .0025  .0072  .0025
F      .2620 .0459 .05503  .49 .0064  .0078  .0059  .0057  .0004  .0031  .0011