Hydrochlorborite
Brown G E, Clark J R
American Mineralogist 63 (1978) 814-823
Crystal structure of hydrochlorborite, Ca2[B3O3(OH)4.OB(OH)3]Cl.7H2O,
a seasonal evaporite mineral
_database_code_amcsd 0000683
22.783 8.745 17.066 90 96.705 90 I2/a
atom      x      y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Ca1  .03304  .1717 .1619      .00075  .0031 .00086 -.00020 .00024  .0001
Ca2  .21377  .0575 .2956      .00068  .0038 .00081  .00005 .00023  .0002
B1    .1592  .3150 .1914       .0005  .0031  .0005  -.0004  .0001  .0006
B2    .1897  .4666 .3166       .0009  .0044  .0011  -.0004  .0003  .0005
B3    .0884  .4902 .2469       .0004  .0000  .0014  -.0001  .0002  .0007
B4   -.0107  .5596 .1714       .0005  .0044  .0010   .0001  .0001  .0001
Cl    .1335  .6356 .0084      .00128  .0068 .00141   .0005 .00026  .0002
O1    .1939  .3289 .2693       .0008  .0036  .0005   .0002  .0000 -.0001
O2    .1007  .3904 .1885       .0005  .0040  .0001   .0007 -.0001 -.0001
O3    .1293  .5301 .3076       .0005  .0068  .0014   .0007 -.0003 -.0014
O4    .0336  .5556 .2414       .0008  .0049  .0013   .0002  .0003 -.0015
O5    .1475  .1498 .1803       .0010  .0027  .0005  -.0003  .0003 -.0009
O6    .1934  .3764 .1312       .0008  .0054  .0008  -.0001  .0004  .0000
O7    .2056  .4355 .4012       .0011  .0054  .0003   .0001  .0000 -.0002
O8    .2318  .5793 .2887       .0009  .0058  .0010  -.0004  .0004 -.0002
O9   -.0575  .6534 .1975       .0008  .0071  .0013  -.0006  .0003  .0013
O10  -.0302  .4001 .1507       .0008  .0047  .0017  -.0001  .0001  .0008
O11  .01100  .6323 .1021       .0012  .0051  .0008  -.0003  .0003  .0006
O12  .05470  .2142 .0269       .0019  .0103  .0013   .0008  .0007  .0009
O13  .06100  .9145 .1354       .0014  .0052  .0022  -.0004  .0002 -.0009
O14  .05610  .5759 .4218       .0010  .0098  .0012   .0007  .0004 -.0003
O15  .23790 -.1601 .3917       .0012  .0064  .0013  -.0001  .0000  .0002
O16  .13580  .8585 .2767       .0011  .0046  .0023   .0000  .0000  .0006
O17  .16370  .1488 .4039       .0016  .0062  .0011  -.0001  .0007  .0002
O18  .17450  .9943 .0443       .0014  .0101  .0012  -.0005  .0004 -.0008
H1     .158   .120  .147    4
H2     .159   .431  .096    6
H3     .245   .451  .418    1
H4     .242   .668  .328    1
H5    -.103   .670  .153    9
H6    -.061   .379  .102    6
H7     .050   .570  .088    3
H8     .064   .158  .003   11
H9     .038   .257 -.003    3
H10    .037   .813  .117    7
H11    .098   .877  .160    5
H12    .086   .564  .365    1
H13    .079   .633  .456    5
H14    .211  -.173  .423    5
H15    .277  -.183  .422    2
H16    .142   .785  .277   15
H17    .093   .845  .294    8
H18    .157   .111  .440    3
H19    .174   .241  .409    4
H20    .185   .104  .004    8
H21    .158   .907  .046   14