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