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Congolite |
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Mendoza-Alvarez M E, Yvon K, Depmeier W, Schmid H |
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Acta Crystallographica C41 (1985) 1551-1552 |
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Structure refinement of trigonal iron-chlorine boracite |
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Locality: synthetic |
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_database_code_amcsd 0019541 |
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8.6231 8.6231 21.0503 90 90 120 R3c |
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atom x y z Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .14727 .29642 .3270 .00692 .00202 .00289 .00035 .00146 .00017 .00040 |
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Cl 0 0 .26630 .01217 .00375 .00375 .00068 .00188 0 0 |
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Bl .1636 -.1655 .08261 .0048 .0015 .0017 .00029 .0011 .00007 -.00008 |
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B2 .1002 -.1027 -.02895 .0045 .0012 .0016 .00024 .0006 .00001 .00001 |
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B3 0 0 .1018 .0061 .0018 .0018 .00036 .0009 0 0 |
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O1 0 0 -.01215 .0039 .00110 .00110 .00024 .00055 0 0 |
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O21 -.1593 -.0008 .10509 .0050 .00079 .00137 .00036 .00034 .00006 -.00009 |
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O22 .2888 .2591 -.03720 .0046 .00114 .00154 .00025 .00057 .00007 -.00012 |
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O23 .2003 -.0231 -.08789 .0043 .00155 .00121 .00016 .00030 .00011 -.00001 |
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O24 -.3045 -.2246 .02118 .0046 .00175 .00120 .00020 .00048 .00012 .00000 |
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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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Congolite |
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Dowty E, Clark J R |
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Zeitschrift fur Kristallographie 138 (1973) 64-99 |
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Crystal-structure refinements for orthorhombic boracite, |
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Mg3B7O13Cl, and a trigonal, iron-rich analogue |
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Locality: Bischofferode, Thuringen, Germany |
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_database_code_amcsd 0010745 |
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8.612 8.612 21.0650 90 90 120 R3c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .1480 .2971 .327 .8 .74 .0034 .0038 .00038 .0019 .0001 .0003 |
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Mg .1480 .2971 .327 .2 .74 .0034 .0038 .00038 .0019 .0001 .0003 |
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B11 .162 -.169 .0828 .59 .0024 .0057 .0002 .0032 -.0003 -.0004 |
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B2 .099 -.105 -.0286 .78 .0011 .0043 .0002 .0006 -.0006 -.0009 |
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B3 0 0 .102 .96 .0028 .0028 .0009 .0014 0 0 |
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O1 0 0 -.0126 .70 .0023 .0023 .0006 .0011 0 0 |
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O21 -.160 -.001 .1056 .59 .0018 .0024 .0004 .0009 -.0002 -.0002 |
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O22 .289 0.261 -.0353 .64 .0024 .0035 .0003 .0014 -.0001 -.0003 |
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O23 .199 -.022 -.0869 .67 .0025 .0030 .0001 -.0005 -.0001 -.0001 |
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O24 -.306 -.226 .0204 .66 .0049 .0012 .0003 .0011 .0001 .0003 |
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Cl 0 0 .2654 1.16 .0050 .005 .0007 .0025 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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