American Mineralogist Crystal Structure Database

2 matching records for this search.

Kornerupine
Download hom/kornerupine.pdf
Moore P B, Sen Gupta P K, Schlemper E O
Download am/vol74/AM74_642.pdf
American Mineralogist 74 (1989) 642-655
Kornerupine: Chemical crystallography, comparative crystallography, and its
cation relation to olivine and to Ni2In intermetallic
_database_code_amcsd 0001247
16.041 13.746 6.715 90 90 90 Cmcm
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgX       0      0      0 .374 0.0641 0.0162 0.0138      0      0 -.0002
Mg1  .12176 .14031    .25      0.0119 0.0086 0.0066  .0022      0      0
Mg2      .5 .14563    .25      0.0039 0.0045 0.0110      0      0      0
Al3  .21536      0      0      0.0070 0.0061 0.0025      0      0 -.0007
Al4  .31366 .14182    .25 .810 0.0076 0.0077 0.0094 -.0003      0      0
Fe4  .31366 .14182    .25 .190 0.0076 0.0077 0.0094 -.0003      0      0
Al5  .40756      0      0      0.0059 0.0056 0.0034      0      0 -.0006
Si1  .40202 .35299    .25      0.0042 0.0052 0.0040  .0010      0      0
Si2  .17842 .33375    .25 .766 0.0160 0.0056 0.0035 -.0016      0      0
Al2  .17842 .33375    .25 .234 0.0160 0.0056 0.0035 -.0016      0      0
Si3       0 .34253    .25 .572 0.0036 0.0067 0.0032      0      0      0
B3        0 .34253    .25 .428 0.0036 0.0067 0.0032      0      0      0
O1    .2240  .0448    .25      0.0083 0.0069 0.0033  .0003      0      0
O2   .40367  .0460    .25      0.0072 0.0062 0.0035 -.0008      0      0
O3   .40283  .2355    .25      0.0089 0.0061 0.0111  .0017      0      0
O4   .13818 .09959 -.0515      0.0106 0.0097 0.0042  .0041 -.0015  .0005
O5    .2338  .2358    .25      0.0219 0.0135 0.0103 -.0001      0      0
O6   .31671 .09479 -.0471      0.0072 0.0084 0.0072  .0007 -.0004  .0000
O7    .0824  .2821    .25      0.0146 0.0158 0.0085 -.0086      0      0
O8       .5  .0885 -.0541      0.0053 0.0058 0.0096      0      0  .0006
O9        0  .1128   -.25      0.0048 0.0128 0.0226      0      0      0
OH10      0  .0882    .25      0.0083 0.0131 0.0177      0      0      0
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Kornerupine
Download hom/kornerupine.pdf
Klaska R, Grew E S
Download am/vol76/AM76_1824.pdf
American Mineralogist 76 (1991) 1824-1835
The crystal structure of B-free kornerupine: Conditions favoring the
incorporation of variable amounts of B through B = Si substitution in
kornerupine
Note: Sample is from the Sinyoni Claims in the Limpopo Belt near Beit Bridge, Zimbabwe
_database_code_amcsd 0001414
16.117 13.728 6.749 90 90 90 Cmcm
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
FeX      0     0      0 .132      0.0368 0.0130 0.0132      0      0 -.0012
MgX      0     0      0  .16      0.0368 0.0130 0.0132      0      0 -.0012
Mg1  .1223 .1364    .25 .819      0.0203 0.0177 0.0137 0.0082      0      0
Fe1  .1223 .1364    .25 .100      0.0203 0.0177 0.0137 0.0082      0      0
Mg2     .5 .1447    .25           0.0090 0.0111 0.0116      0      0      0
Al3  .2161     0      0           0.0119 0.0126 0.0096      0      0 -.0007
Al4  .3145 .1401    .25  .82      0.0075 0.0088 0.0127 0.0005      0      0
Mg4  .3145 .1401    .25  .18      0.0075 0.0088 0.0127 0.0005      0      0
Al5  .4059     0      0           0.0113 0.0121 0.0097      0      0 -.0006
Si1  .4016 .3519    .25           0.0093 0.0109 0.0109 0.0007      0      0
Si2  .1825 .3317    .25  .44      0.0104 0.0115 0.0101 0.0004      0      0
Al2  .1825 .3317    .25  .56      0.0104 0.0115 0.0101 0.0004      0      0
Si3      0 .3404    .25  .68      0.0100 0.0114 0.0111      0      0      0
Al3      0 .3404    .25  .32      0.0100 0.0114 0.0111      0      0      0
H       .5  .550   .141   .3 .024
O1   .2258 .0446    .25           0.0112 0.0128 0.0100 0.0005      0      0
O2   .4022 .0459    .25           0.0123 0.0113 0.0105 -.0002      0      0
O3   .4019 .2335    .25           0.0128 0.0114 0.0167 0.0007      0      0
O4   .1390 .0998 -.0529           0.0153 0.0144 0.0124 0.0031 -.0014 -.0003
O5   .2386 .2337    .25           0.0169 0.0212 0.0173 0.0054      0      0
O6   .3161 .0959 -.0437           0.0122 0.0152 0.0143 0.0008 -.0006 -.0015
O7   .0864 .2764    .25           0.0138 0.0119 0.0160 -.0017      0      0
O8      .5 .0883 -.0479           0.0120 0.0118 0.0130      0      0 -.0003
O9       0 .1159    .75           0.0099 0.0135 0.0273      0      0      0
O10      0 .0874    .25  .75      0.0158 0.0179 0.0232      0      0      0
F10      0 .0874    .25  .25      0.0158 0.0179 0.0232      0      0      0
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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