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Berthierite |
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Buerger M J, Hahn T |
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American Mineralogist 39 (1954) 319-319 |
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The crystal structure of berthierite, FeSb2S4 |
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_database_code_amcsd 0000064 |
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11.44 14.12 3.76 90 90 90 Pnam |
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atom x y z |
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Fe .314 .335 .25 |
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Sb1 .145 .064 .25 |
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Sb2 .036 .385 .75 |
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S1 .197 .272 .75 |
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S2 .428 .186 .25 |
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S3 .229 .494 .25 |
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S4 .452 .405 .75 |
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Berthierite |
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Buerger M J, Hahn T |
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American Mineralogist 40 (1955) 226-238 |
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The crystal structure of berthierite, FeSb2S4 |
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_database_code_amcsd 0000069 |
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11.44 14.12 3.76 90 90 90 Pnam |
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atom x y z |
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Sb1 .145 .062 .25 |
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Sb2 .037 .386 .75 |
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Fe .316 .334 .25 |
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S1 .195 .272 .75 |
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S2 .424 .184 .25 |
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S3 .226 .492 .25 |
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S4 .451 .405 .75 |
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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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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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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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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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|
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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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Quartz |
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Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
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Zeitschrift fur Kristallographie 198 (1992) 177-212 |
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Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
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P = room pressure |
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_database_code_amcsd 0011007 |
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4.921 4.921 5.4163 90 90 120 *P3_121 |
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0 0 .3333333333333333 |
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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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Si .4698 0 0 .0049 .0041 .0046 .00205 .0001 .0002 |
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O .4151 .2675 -.1194 .014 .0102 .0101 .0091 .0029 .0036 |
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|
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Quartz |
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Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
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Zeitschrift fur Kristallographie 198 (1992) 177-212 |
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Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
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P = 4.0GPa = 40 kbar |
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_database_code_amcsd 0011008 |
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4.775 4.775 5.3046 90 90 120 *P3_121 |
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0 0 .3333333333333333 |
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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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Si .4570 0 0 .0012 .0020 .0069 .0010 .0001 .0002 |
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O .4080 .2881 -.1033 .017 .0090 .011 .010 .003 .001 |
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|
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Quartz |
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Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
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Zeitschrift fur Kristallographie 198 (1992) 177-212 |
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Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
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P = 7.2GPa = 72 kbar |
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_database_code_amcsd 0011009 |
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4.6764 4.6764 5.2475 90 90 120 *P3_121 |
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0 0 .3333333333333333 |
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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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Si .4503 0 0 .0053 .0041 .0051 .00205 .0003 .0006 |
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O .4012 .2971 -.0961 .0119 .0082 .0083 .0070 .0026 .0030 |
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|
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Quartz |
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Glinnemann J, King H E, Schulz H, Hahn T, La Placa S J, Dacol F |
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Zeitschrift fur Kristallographie 198 (1992) 177-212 |
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Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure |
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P = 10.2GPa = 102 kbar |
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_database_code_amcsd 0011010 |
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4.604 4.604 5.207 90 90 120 *P3_121 |
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0 0 .3333333333333333 |
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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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Si .4458 0 0 .0052 .0039 .0048 .00195 .0003 .0006 |
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O .3951 .3031 -.0921 .0106 .0072 .0076 .0061 .0017 .0020 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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