Hydroxylclinohumite
Kocman V, Rucklidge J C
The Canadian Mineralogist 12 (1973) 39-45
The crystal structure of a titaniferous clinohumite
_database_code_amcsd 0005091
4.753 10.269 13.724 100.90 90 90 P2_1/b
atom       x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
MgM1A     .5      0     .5 .806 .00392 .00191 .00051       0       0  .00044
FeM1A     .5      0     .5 .194 .00392 .00191 .00051       0       0  .00044
MgM1B .00294 .44596 .27424 .803 .00454 .00163 .00041 -.00009 -.00012  .00015
FeM1B .00294 .44596 .27424 .197 .00454 .00163 .00041 -.00009 -.00012  .00015
MgM25 .01258 .13989 .16997 .840 .00509 .00135 .00056  .00009 -.00003  .00033
FeM25 .01258 .13989 .16997 .160 .00509 .00135 .00056  .00009 -.00003  .00033
MgM26 .98872 .75089 .38792 .759 .00565 .00135 .00054  .00009  .00006  .00029
FeM26 .98872 .75089 .38792 .241 .00565 .00135 .00054  .00009  .00006  .00029
MgM3  .00599 .38156 .04182 .810 .00357 .00201 .00034 -.00064  .00028 -.00011
TiM3  .00599 .38156 .04182  .13 .00357 .00201 .00034 -.00064  .00028 -.00011
FeM3  .00599 .38156 .04182 .060 .00357 .00201 .00034 -.00064  .00028 -.00011
Si1   .42699 .56673 .38952      .00159 .00103 .00022  .00004 -.00005  .00022
Si2   .57563 .32317 .16460      .00175 .00095 .00022  .00006  .00007  .00019
O11   .76733 .56471 .38786      .00431 .00183 .00058 -.00003 -.00023  .00033
O12   .28089 .42086 .38774      .00603 .00106 .00080 -.00024 -.00030  .00024
O13   .27872 .61312 .29395      .00518 .00214 .00067 -.00016 -.00008  .00054
O14   .27941 .65899 .48633      .00486 .00158 .00080  .00039  .00017  .00001
O21   .23539 .32279 .16273      .00411 .00178 .00071 -.00010 -.00003  .00050
O22   .72116 .46805 .16273      .00677 .00163 .00067 -.00034 -.00026  .00034
O23   .72219 .27913 .26181      .00587 .00220 .00063  .00031  .00020  .00059
O24   .72579 .22776 .06969      .00651 .00179 .00073 -.00014  .00041  .00003
OH    .24213 .54469 .05394  .54 .00536 .00207 .00077 -.00025 -.00091  .00002
O     .24213 .54469 .05394  .26 .00536 .00207 .00077 -.00025 -.00091  .00002
F     .24213 .54469 .05394  .20 .00536 .00207 .00077 -.00025 -.00091  .00002