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Szaibelyite |
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Takeuchi Y, Kudoh Y |
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American Mineralogist 60 (1975) 273-279 |
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Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and |
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polymorphism |
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_database_code_amcsd 0000453 |
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12.577 10.393 3.139 90 95.9 90 P2_1/a |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .5047 .1372 .2348 .0016 .0013 .0215 .0001 .0028 .0002 |
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Mg2 .4129 .4208 .7104 .0021 .0019 .0297 .0002 .0024 -.0014 |
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B1 .1372 .1680 .7598 .0028 .0019 .0383 -.0010 .0029 .0010 |
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B2 .3072 .0472 .6253 .0030 .0023 .0372 -.0005 .0033 .0014 |
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O1 .0762 .0616 .7804 .0026 .0023 .0302 .0002 .0024 .0015 |
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O2 .1012 .2908 .7750 .0029 .0022 .0379 -.0002 .0026 .0001 |
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O3 .2476 .1548 .7208 .0031 .0030 .0450 0 .0016 -.0018 |
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Oh4 .2481 .4485 .6078 .0034 .0025 .0379 .0000 .0019 .0043 |
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O5 .4134 .0434 .7155 .0027 .0021 .3000 -.0002 .0015 .0001 |
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Oh6 .4084 .2953 .2059 .0027 .0020 .0354 -.0004 .0020 .0006 |
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H1 .21 .39 .66 |
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H2 .33 .28 .10 |
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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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Szaibelyite |
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Grice J D |
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The Canadian Mineralogist 46 (2008) 671-677 |
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Szaibelyite: Crystal structure analysis and hydrogen bonding |
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Locality: Penobsquis, Kings County, New Brunswick, Canada |
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_database_code_amcsd 0006191 |
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12.586 10.415 3.1340 90 95.923 90 P2_1/a |
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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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Mg1 .50433 .13724 .2348 .00791 .0074 .0071 .0092 .0002 .0006 -00001 |
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Mg2 .41242 .42083 .7103 .00806 .0073 .0078 .0090 .0005 .0007 .0004 |
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B1 .13788 .1681 .7590 .0079 .0077 .0083 .0073 .0006 .0007 .0005 |
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B2 .30629 .0479 .6212 .0085 .0085 .0078 .0093 -.0008 .0013 .0012 |
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O1 .07618 .06199 .7800 .0087 .0077 .0076 .0108 -00004 .0013 -00000 |
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O2 .10053 .29133 .7743 .0089 .0084 .0067 .0116 .0005 .0013 .0000 |
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O3 .24772 .15513 .7185 .0104 .0070 .0074 .0171 -00001 .0027 -.0015 |
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O4 .24785 .44956 .6062 .0108 .0075 .0093 .0152 -.0004 .0003 .0036 |
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O5 .41400 .04335 .7182 .0086 .0065 .0080 .0113 .0007 .0004 -.0004 |
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O6 .40869 .29482 .2074 .0090 .0073 .0082 .0114 -00005 .0009 -.0000 |
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H4 .197 .387 .679 .042 |
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H6 .348 .266 .154 .028 |
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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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