American Mineralogist Crystal Structure Database

1 matching records for this search.

Kaliborite
Download hom/kaliborite.pdf
Burns P C, Hawthorne F C
Download cm/vol32/CM32_885.pdf
The Canadian Mineralogist 32 (1994) 885-894
Kaliborite: An example of a crystallographically symmetrical
hydrogen bond
_database_code_amcsd 0005415
18.572 8.466 14.689 90 100.02 90 C2/c
atom      x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0 .1187    .25        .0241  .0292  .0254      0  .0050      0
Mg   .13784 .4234 .16721        .0087  .0090  .0104 -.0007 -.0008 -.0002
B1    .5005 .1473  .1077        .0089  .0130  .0093 -.0009 -.0006 -.0019
B2    .0691 .8378  .0255        .0127  .0161  .0130 -.0020 -.0003 -.0006
B3    .1109 .7955  .1964        .0100  .0087  .0094      0  .0014 -.0009
B4    .2628 .2025  .2546        .0116  .0099  .0103  .0012  .0013 -.0004
B5    .3047 .4591  .1928        .0079  .0082  .0097 -.0016 -.0006  .0007
B6    .2399 .4974  .0236        .0150  .0253  .0106 -.0014 -.0008  .0006
H1        0  .257    .75 .0564
H2     .408  .235   .130 .0564
H3     .383  .546   .067 .0564
H4     .003  .422   .068 .0564
H5     .207  .939   .076 .0564
H6     .146  .439  -.020 .0564
H7     .120  .101   .123 .0564
H8     .077  .196   .057 .0564
H9     .404  .964   .172 .0564
H10    .341  .851   .173 .0564
O1    .0134 .7310  .0241        .0167  .0177  .0103 -.0058 -.0006  .0007
Oh2   .0361 .7340  .1889        .0090  .0151  .0088 -.0032  .0004 -.0028
O3    .1171 .8722  .1054        .0123  .0151  .0110 -.0038  .0005  .0019
O4   .37643 .3994  .2268        .0087  .0107  .0136  .0011 -.0001  .0035
O5    .1658 .6612  .2086        .0091  .0082  .0159  .0012 -.0021 -.0018
O6    .2946 .6096  .2380        .0115  .0114  .0281  .0002 -.0016 -.0069
O7    .2466 .3461  .2104        .0097  .0091  .0157  .0003  .0004  .0025
O8    .2991 .4863  .0914        .0119  .0278  .0114 -.0030 -.0023  .0063
Oh9   .4214 .1352  .1073        .0084  .0182  .0159 -.0020 -.0008 -.0028
Oh10  .4278 .5920  .0568        .0251  .0403  .0137 -.0146 -.0019  .0098
Oh11  .0321 .4888  .1126        .0132  .0114  .0188  .0010 -.0036 -.0030
Oh12  .2557 .9580  .0647        .0162  .0676  .0131 -.0043 -.0005  .0120
Oh13  .1710 .4636  .0411        .0123  .0348  .0117 -.0046 -.0016  .0011
OW14  .0988 .2048  .1204        .0244  .0119  .0278  .0017 -.0096 -.0017
OW15  .3892 .8757  .2046        .0228  .0203  .0181 -.0046  .0033 -.0015
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