American Mineralogist Crystal Structure Database

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Henmilite
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Nakai I, Okada H, Masutomi K, Koyama E, Nagashima K
 
American Mineralogist 71 (1986) 1236-1239
Henmilite, Ca2Cu(OH)4[B(OH)4]2, a new mineral from Fuka, Okayama Prefecture,
Japan. II. Crystal structure
_database_code_amcsd 0001050
5.7617 7.9774 5.6488 109.611 91.473 83.686 P-1
atom      x        y       z Biso  B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Ca   .50791   .24095  .22595       .00579 .00331 .00747 -.00038 .00008 .00133
Cu        0        0       0       .00588 .00366 .00933 -.00051 .00094 .00169
B     .2790    .4068   .7480        .0059  .0034  .0074  -.0004 -.0001  .0019
O1    .3061   -.0192   .1455        .0067  .0041  .0108  -.0009  .0004  .0016
O2    .8404    .0684   .3239        .0081  .0059  .0102   .0007  .0010  .0028
O3    .2467    .2907   .8972        .0097  .0038  .0104  -.0005  .0006  .0033
O4    .1523    .3538   .5106        .0084  .0055  .0090  -.0010 -.0027  .0008
O5    .7879    .4055   .0978        .0080  .0029  .0099  -.0005  .0004  .0009
O6    .5261    .3983   .6742        .0060  .0069  .0082  -.0006  .0001  .0027
H1     .705     .040    .735   .5
H2     .923     .065    .427  2.0
H3     .226     .194    .828  3.4
H4     .043     .418    .526  2.0
H5     .904     .385    .058  2.0
H6     .619     .387    .768  1.5
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