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Corundum |
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Lewis J, Schwarzenbach D, Flack H D |
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Acta Crystallographica A38 (1982) 733-739 |
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Electric field gradients and charge density in corundum alpha-Al2O3 |
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_database_code_amcsd 0009325 |
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4.7602 4.7602 12.9933 90 90 120 R-3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al 0 0 .35216 .00279 .00279 .00296 .001395 0 0 |
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O .30624 0 .25 .00327 .00341 .00365 .001635 .00047 .00094 |
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Cattierite |
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Nowack E, Schwarzenbach D, Hahn T |
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Acta Crystallographica B47 (1991) 650-659 |
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Charge densities in CoS2 and NiS2 (pyrite structure) |
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Note: multipole model |
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Locality: synthetic |
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_database_code_amcsd 0009852 |
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5.5385 5.5385 5.5385 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co 0 0 0 .00432 .00432 .00432 -.00002 -.00002 -.00002 |
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S .38987 .38987 .38987 .00446 .00446 .00446 -.00010 -.00010 -.00010 |
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| Download AMC data (View Text File)
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Vaesite |
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Nowack E, Schwarzenbach D, Hahn T |
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Acta Crystallographica B47 (1991) 650-659 |
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Charge densities in CoS2 and NiS2 (pyrite structure) |
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Note: multipole model, T = 135 K |
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Locality: synthetic |
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_database_code_amcsd 0009853 |
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5.6765 5.6765 5.6765 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni 0 0 0 .00297 .00297 .00297 .00011 .00011 .00011 |
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S .39454 .39454 .39454 .00287 .00287 .00287 -.00007 -.00007 -.00007 |
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Coccinite |
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Schwarzenbach D |
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Zeitschrift fur Kristallographie 128 (1969) 97-114 |
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The crystal structure and one-dimensional disorder of the orange |
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modification of HgI2 |
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Locality: synthetic |
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Note: this is a polymorph of coccinite |
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_database_code_amcsd 0010671 |
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8.776 8.776 24.732 90 90 90 I4_1/amd |
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atom x y z |
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Hg 0 .25 .3125 |
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I1 0 0 .125 |
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I2 0 0 .375 |
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I3 .25 .25 0 |
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Vaesite |
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Nowack E, Schwarzenbach D, Gonschorek W, Hahn T |
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Zeitschrift fur Kristallographie 186 (1989) 213-215 |
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Deformationsdichten in CoS2 und NiS2 mit pyritstruktur |
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Note: T = 145 K |
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_database_code_amcsd 0010989 |
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5.6765 5.6765 5.6765 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni 0 0 0 .00300 .00300 .00300 .00011 .00011 .00011 |
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S .39454 .39454 .39454 .00287 .00287 .00287 -.00007 -.00007 -.00007 |
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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
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Vaesite |
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Nowack E, Schwarzenbach D, Gonschorek W, Hahn T |
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Zeitschrift fur Kristallographie 186 (1989) 213-215 |
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Deformationsdichten in CoS2 und NiS2 mit pyritstruktur |
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Note: T = 295 K |
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_database_code_amcsd 0010990 |
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5.6865 5.6865 5.6865 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni 0 0 0 .0057 .0057 .0057 .0006 .0006 .0006 |
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S .39482 .39482 .39482 .0049 .0049 .0049 -.00006 -.00006 -.00006 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cattierite |
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Nowack E, Schwarzenbach D, Gonschorek W, Hahn T |
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Zeitschrift fur Kristallographie 186 (1989) 213-215 |
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Deformationsdichten in CoS2 und NiS2 mit pyritstruktur |
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Note: T = 295 K |
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Note: pyrite structure |
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_database_code_amcsd 0010991 |
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5.5385 5.5385 5.5385 90 90 90 Pa3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co 0 0 0 .00436 .00436 .00436 .00002 .00002 .00002 |
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S .38987 .38987 .38987 .00446 .00446 .00446 -.00010 -.00010 -.00010 |
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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
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