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Kornerupine |
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Moore P B, Sen Gupta P K, Schlemper E O |
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American Mineralogist 74 (1989) 642-655 |
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Kornerupine: Chemical crystallography, comparative crystallography, and its |
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cation relation to olivine and to Ni2In intermetallic |
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_database_code_amcsd 0001247 |
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16.041 13.746 6.715 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgX 0 0 0 .374 0.0641 0.0162 0.0138 0 0 -.0002 |
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Mg1 .12176 .14031 .25 0.0119 0.0086 0.0066 .0022 0 0 |
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Mg2 .5 .14563 .25 0.0039 0.0045 0.0110 0 0 0 |
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Al3 .21536 0 0 0.0070 0.0061 0.0025 0 0 -.0007 |
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Al4 .31366 .14182 .25 .810 0.0076 0.0077 0.0094 -.0003 0 0 |
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Fe4 .31366 .14182 .25 .190 0.0076 0.0077 0.0094 -.0003 0 0 |
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Al5 .40756 0 0 0.0059 0.0056 0.0034 0 0 -.0006 |
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Si1 .40202 .35299 .25 0.0042 0.0052 0.0040 .0010 0 0 |
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Si2 .17842 .33375 .25 .766 0.0160 0.0056 0.0035 -.0016 0 0 |
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Al2 .17842 .33375 .25 .234 0.0160 0.0056 0.0035 -.0016 0 0 |
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Si3 0 .34253 .25 .572 0.0036 0.0067 0.0032 0 0 0 |
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B3 0 .34253 .25 .428 0.0036 0.0067 0.0032 0 0 0 |
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O1 .2240 .0448 .25 0.0083 0.0069 0.0033 .0003 0 0 |
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O2 .40367 .0460 .25 0.0072 0.0062 0.0035 -.0008 0 0 |
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O3 .40283 .2355 .25 0.0089 0.0061 0.0111 .0017 0 0 |
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O4 .13818 .09959 -.0515 0.0106 0.0097 0.0042 .0041 -.0015 .0005 |
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O5 .2338 .2358 .25 0.0219 0.0135 0.0103 -.0001 0 0 |
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O6 .31671 .09479 -.0471 0.0072 0.0084 0.0072 .0007 -.0004 .0000 |
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O7 .0824 .2821 .25 0.0146 0.0158 0.0085 -.0086 0 0 |
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O8 .5 .0885 -.0541 0.0053 0.0058 0.0096 0 0 .0006 |
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O9 0 .1128 -.25 0.0048 0.0128 0.0226 0 0 0 |
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OH10 0 .0882 .25 0.0083 0.0131 0.0177 0 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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Kornerupine |
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Klaska R, Grew E S |
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American Mineralogist 76 (1991) 1824-1835 |
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The crystal structure of B-free kornerupine: Conditions favoring the |
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incorporation of variable amounts of B through B = Si substitution in |
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kornerupine |
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Note: Sample is from the Sinyoni Claims in the Limpopo Belt near Beit Bridge, Zimbabwe |
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_database_code_amcsd 0001414 |
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16.117 13.728 6.749 90 90 90 Cmcm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeX 0 0 0 .132 0.0368 0.0130 0.0132 0 0 -.0012 |
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MgX 0 0 0 .16 0.0368 0.0130 0.0132 0 0 -.0012 |
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Mg1 .1223 .1364 .25 .819 0.0203 0.0177 0.0137 0.0082 0 0 |
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Fe1 .1223 .1364 .25 .100 0.0203 0.0177 0.0137 0.0082 0 0 |
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Mg2 .5 .1447 .25 0.0090 0.0111 0.0116 0 0 0 |
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Al3 .2161 0 0 0.0119 0.0126 0.0096 0 0 -.0007 |
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Al4 .3145 .1401 .25 .82 0.0075 0.0088 0.0127 0.0005 0 0 |
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Mg4 .3145 .1401 .25 .18 0.0075 0.0088 0.0127 0.0005 0 0 |
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Al5 .4059 0 0 0.0113 0.0121 0.0097 0 0 -.0006 |
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Si1 .4016 .3519 .25 0.0093 0.0109 0.0109 0.0007 0 0 |
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Si2 .1825 .3317 .25 .44 0.0104 0.0115 0.0101 0.0004 0 0 |
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Al2 .1825 .3317 .25 .56 0.0104 0.0115 0.0101 0.0004 0 0 |
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Si3 0 .3404 .25 .68 0.0100 0.0114 0.0111 0 0 0 |
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Al3 0 .3404 .25 .32 0.0100 0.0114 0.0111 0 0 0 |
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H .5 .550 .141 .3 .024 |
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O1 .2258 .0446 .25 0.0112 0.0128 0.0100 0.0005 0 0 |
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O2 .4022 .0459 .25 0.0123 0.0113 0.0105 -.0002 0 0 |
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O3 .4019 .2335 .25 0.0128 0.0114 0.0167 0.0007 0 0 |
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O4 .1390 .0998 -.0529 0.0153 0.0144 0.0124 0.0031 -.0014 -.0003 |
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O5 .2386 .2337 .25 0.0169 0.0212 0.0173 0.0054 0 0 |
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O6 .3161 .0959 -.0437 0.0122 0.0152 0.0143 0.0008 -.0006 -.0015 |
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O7 .0864 .2764 .25 0.0138 0.0119 0.0160 -.0017 0 0 |
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O8 .5 .0883 -.0479 0.0120 0.0118 0.0130 0 0 -.0003 |
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O9 0 .1159 .75 0.0099 0.0135 0.0273 0 0 0 |
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O10 0 .0874 .25 .75 0.0158 0.0179 0.0232 0 0 0 |
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F10 0 .0874 .25 .25 0.0158 0.0179 0.0232 0 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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