American Mineralogist Crystal Structure Database

2 matching records for this search.

Seamanite
Download hom/seamanite.pdf
Moore P B, Ghose S
Download am/vol56/AM56_1527.pdf
American Mineralogist 56 (1971) 1527-1538
A novel face-sharing octahedral trimer in the crystal structure of seamanite
_database_code_amcsd 0000258
7.811 15.114 6.691 90 90 90 Pbnm
atom      x     y     z Biso
Mn1   .2783 .4758   .25  .53
Mn2   .3507 .6406 .5016  .58
P     .6931 .5542   .25  .30
B     .0072 .3146   .25  .63
OH1   .4615 .3688   .25  .91
OH2   .1862 .6165   .25  .80
OH3   .0399 .4099   .25 1.01
OH4  -.1846 .3027   .25  .69
OH5   .0810 .2739 .0742 1.12
O6    .7246 .4961 .0648  .91
O7    .5042 .5845   .25  .90
O8    .8112 .6340   .25  .96
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View JMOL 3-D Structure (permalink)
 
Seamanite
Download hom/seamanite.pdf
Huminicki D M C, Hawthorne F C
Download cm/vol40/CM40_923.pdf
The Canadian Mineralogist 40 (2002) 923-928
Hydrogen bonding in the crystal structure of seamanite
Locality: Chicagon mine, Iron County, Michigan, USA
_database_code_amcsd 0005774
7.8231 15.1405 6.6999 90 90 90 Pbnm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn(1) .27819 .47584    .25     .0114  .0128  .0112  .0103  .0114  .0005      0
Mn(2) .35076 .64067 .50166     .0116  .0143  .0112  .0093  .0116  .0003  .0004
P     .69328 .55408    .25     .0072  .0078  .0069  .0078  .0072 -.0006      0
B      .0071  .3151    .25     .0110  .0099  .0091  .0139  .0110 -.0003      0
O(1)   .4608  .3688    .25     .0135  .0126  .0132  .0145  .0135 -.0002      0
O(2)   .1866  .6162    .25     .0135  .0106  .0172  .0128  .0135 -.0032      0
O(3)   .0393  .4094    .25     .0148  .0208  .0122  .0115  .0148  .0019 -.0022
O(4)  -.1846  .3027    .25     .0121  .0102  .0102  .0158  .0121  .0012  .0093
O(5)   .0812  .2733  .0734     .0159  .0113  .0090  .0275  .0159  .0002  .0023
O(6)   .7244  .4964  .0646     .0179  .0247  .0131  .0160  .0179  .0050  .0032
O(7)   .5040  .5846    .25     .0136  .0154  .0110  .0143  .0136  .0031 -.0009
O(8)   .8110  .6348    .25     .0129  .0105  .0151  .0130  .0129 -.0005  .0121
H(1)    .399   .314   .218  .5 .0436
H(2)    .0616  .621    .25     .0391
H(3)   -.041   .446   .327  .5 .0458
H(4)   -.216  .2400    .25     .0713
H(5)    .101   .317  -.031     .0561
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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Total number of retrieved datasets: 2
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