Santaclaraite
Ohashi Y, Finger L W
American Mineralogist 66 (1981) 154-168
The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of
hydrogen atoms in the pyroxenoid structure
Note: gamma angle revised according to Am Min 66 (1981) 1281
_database_code_amcsd 0000807
10.273 11.910 12.001 105.77 110.64 89.13 I-1
atom      x      y      z occ Biso
Mn1  .01041 .03761 .87646     0.64
Mn2  .00534 .11316 .62112     0.52
Mn3  .02109 .83376 .63081 .99 0.62
Ca3  .02109 .83376 .63081 .01 0.62
Mn4  .00166 .24218 .11853 .95 0.56
Mg4  .00166 .24218 .11853 .05 0.56
Ca5  .01957 .31307 .86949 .91 0.70
Mn5  .01957 .31307 .86949 .09 0.70
Si1   .2092  .5836  .5776     0.41
Si2   .2203  .6605  .3564     0.44
Si3   .2256  .4693  .1212     0.40
Si4   .2101  .5305  .8810     0.40
Si5   .1953  .3531  .6409     0.39
OA1   .1270  .8910  .8386     0.66
OA2   .1115  .8140  .0865     0.65
OA3   .1071  .0210  .3269     0.62
OA4   .1222  .9548  .5760     0.60
OA5   .1366  .1528  .8169     0.56
OhB1  .1204  .6740  .6437     0.74
OB2   .1316  .7672  .3327     0.73
OB3   .1536  .3399  .0887     0.70
OB4   .1363  .6393  .8435     0.87
OB5   .1068  .2307  .5620     0.62
OC1   .1740  .5938  .4398     0.72
OC2   .1683  .5646  .2155     0.68
OC3   .1602  .5011  .9873     0.63
OC4   .1549  .4076  .7663     0.63
OC5   .1575  .4485  .5603     0.67
OhD1  .1041  .0863  .0802     0.75
OWD2  .1293  .2764  .3267     0.90
H1     .101   .655   .702
H2     .181   .089   .116
H3     .218   .248   .362
H4     .137   .335   .406