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 = 295 K
_database_code_amcsd 0002663
4.7404 10.2380 13.651 100.909 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      .0059  .0052  .0077  .0054 .00010 .00006 .00267
Mg(1)n .4973  .9463 .27416      .0059  .0052  .0070  .0049 .00019 .00026 .00003
Mg(2)5 .0109  .1401 .16985      .0061  .0065  .0058  .0065 .00013 .00016 .00221
Mg(2)6 .5085  .2502 .38824      .0058  .0058  .0054  .0064 .00012 .00021 .00126
Mg(3)  .4921  .8764  .0434 .896 .0048  .0055  .0046  .0049  .0002  .0009  .0023
Ti(3)  .4921  .8764  .0434 .104 .0048  .0055  .0046  .0049  .0002  .0009  .0023
Si1    .0730  .0664  .3896      .0042  .0036  .0049  .0041  .0001  .0009  .0010
Si2    .0764  .1769  .8352      .0038  .0024  .0048  .0042  .0002  .0001  .0006
O1,1   .7331  .0643 .38799      .0054  .0039  .0069  .0056 .00029 .00057 .00150
O1,2   .2785 .41952 .38773      .0056  .0056  .0049  .0065 .00066 .00038 .00158
O1,3   .2227  .1122 .29331      .0058  .0058  .0070  .0052 .00027 .00033 .00256
O1,4   .2217  .1586 .48644      .0058  .0052  .0066  .0052 .00084 .00002 .00007
O2,1   .2358  .3229 .16276      .0054  .0034  .0067  .0065 .00008 .00010 .00176
O2,2   .7778 .96863 .16281      .0061  .0068  .0052  .0064 .00020 .00016 .00126
O2,3   .7244  .2797 .26225      .0060  .0057  .0073  .0056 .00012 .00023 .00294
O2,4   .7274  .2274 .06980      .0061  .0057  .0064  .0056 .00004 .00120 .00032
O(H)   .2616  .0458 .05494  .44 .0082  .0090  .0076  .0085 .00085 .00340 .00188
H       .088  .0120  .0116  .40 .0209  .0164  .0240  .0203  .0042  .0060  .0017
F      .2616  .0458 .05495  .54 .0082  .0090  .0076  .0085 .00085  .0034 .00188