American Mineralogist Crystal Structure Database

1 matching records for this search.

Penobsquisite
Download hom/penobsquisite.pdf
Grice J D, Gault R A, Van Velthuizen J
Download cm/vol34/CM34_657.pdf
The Canadian Mineralogist 34 (1996) 657-665
Penobsquisite: A new borate mineral with a complex framework structure
_database_code_amcsd 0005500
11.620 9.407 8.726 90 98.58 90 P2_1
atom      x      y       z  Uiso
Ca1  .63456 .28302  .47322 .0102
Ca2  .65876 .48751  .09093 .0108
Fe   .93944 .59614 -.07485 .0134
Cl   .98111      0  .29606 .0232
B1    .8966  .3404   .3122 .0106
B2    .6114  .5806  -.3044 .0090
B3    .4616  .7360   .1648 .0106
B4    .1575  .6538   .1801 .0093
B5    .8831  .3442   .0269 .0091
B6    .4685  .2360   .0994 .0110
B7    .0729  .4010   .2008 .0110
B8    .7225  .3678  -.1977 .0083
B9    .5439  .5887  -.5904 .0104
O1    .8288  .3293   .1697 .0108
O2    .0110  .3706   .3326 .0127
OH3   .8380  .3258   .4385 .0174
O4    .6768  .4628  -.3244 .0097
O5    .5551  .6479  -.4319 .0123
O6    .6053  .6277  -.1577 .0151
O7    .5328  .6873   .0640 .0135
O8    .6270  .3244  -.1104 .0111
O9    .5234  .1989  -.3174 .0127
O10   .7679  .2444  -.2691 .0103
O11   .1485  .5218   .2388 .0138
O12   .0984  .6988   .0378 .0113
O13   .8083  .4344  -.0826 .0089
O14   .9917  .4221   .0594 .0097
Oh15  .5863  .2437   .1914 .0173
Oh16  .4213  .3782   .0972 .0308
Oh17  .8560  .7706  -.1776 .0158
Oh18  .6533  .5499   .3554 .0136
Oh19  .4807  .4531   .4003 .0149
OW20  .7105  .0362   .4648 .0222
OW21  .7159  .9951   .1420 .0482
OW22  .8714  .6798   .4426 .0351
OW23  .8311  .6689   .1294 .0265
H3     .882   .347    .520 .0500
H15    .620   .166    .162 .0500
H16    .409   .395    .182 .0500
H17    .199   .283    .186 .0500
H18    .713   .597    .405 .0500
H19    .426   .462    .434 .0500
H20    .768   .037    .547 .0500
H20a   .724   .010    .390 .0500
H21    .229   .511   -.131 .0500
H21a   .323   .456   -.066 .0500
H22    .088   .121    .497 .0500
H22a   .117   .257    .540 .0500
H23    .817   .751    .109 .0500
H23a   .861   .678    .222 .0500
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