American Mineralogist Crystal Structure Database

2 matching records for this search.

Borcarite
Download hom/borcarite.pdf
Burns P C, Hawthorne F C
Download mm/vol59/MM59_297.pdf
Mineralogical Magazine 59 (1995) 297-304
Hydrogen bonding in borcarite, an unusual borate-carbonate mineral
Locality: Yakutskaya, Russia
_database_code_amcsd 0014516
17.840 8.380 4.445 90 102.04 90 C2/m
atom      x      y       z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .15543 .23368  0.1548    0  .0081  .0077  .0109 -.0008  .0015 -.0012
Mg        0      0       0    0  .0046  .0072  .0040      0  .0010      0
B1        0  .2400      .5    0  .0124  .0125  .0139      0  .0023      0
B2    .0948      0   .6171    0  .0065  .0084  .0082      0 -.0005      0
C     .3048      0   .2515    0  .0083  .0125  .0092      0 -.0024      0
O1    .0994      0   .3071    0  .0091  .0097  .0067      0  .0015      0
O2   .05513  .1427   .7204    0  .0088  .0077  .0073  .0017  .0004  .0001
Oh3  .04149  .3385   .3095    0  .0105  .0090  .0100 -.0012  .0030  .0014
O4    .2150  .3654   .6487    0  .0143  .0206  .0221  .0057 -.0036 -.0118
Oh5   .1743      0   .8236    0  .0071  .0137  .0093      0  .0007      0
O6    .3441      0   .0398    0  .0246  .0155  .0156      0  .0105      0
H1     .005   .355    .127  .03
H2     .212      0    .698  .03
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Borcarite
Download hom/borcarite.pdf
Yamnova N A, Simonov M A, Kazanskaya E V, Belov N V
 
Soviet Physics Doklady 20 (1975) 799-801
Refinement of the crystal structure of the Ca, Mg-carbonatoborate
borcarite Ca4Mg/B4O6(OH)6/(CO3)2
Locality: Solongo metasomatite deposit, Buryatia, Russia
_database_code_amcsd 0020477
4.445 17.843 8.378 90 90 101.94 A2/m
atom     x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1  .1548 .15531 .23368  .67 .01123 .00045 .00219  .00025 -.00056 -.00006
Mg1      0      0      0  .51 .00608 .00028 .00271  .00012       0       0
B1      .5      0  .2408  .55 .00846 .00040 .00219  .00006       0       0
B2   .6181  .0949      0  .59 .00674 .00046 .00245  .00012       0       0
C1   .7509  .1954     .5  .72 .00898 .00047 .00320 -.00051       0       0
O1   .3074  .0992      0  .65 .00727 .00050 .00286  .00029       0       0
O2   .7203  .0549  .1426  .61 .00846 .00045 .00215 -.00003 -.00007  .00013
OH3  .3095  .0415  .3391  .76 .01031 .00064 .00264  .00090  .00077 -.00025
O4   .6465  .2153  .3659 1.42 .02220 .00080 .00591 -.00090 -.00617  .00082
OH5  .8230  .1742      0  .74 .00951 .00038 .00387 -.00003       0       0
O6   .9617  .1566     .5 1.24 .01559 .00113 .00476  .00183       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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