Pyrite
Ramsdell L S
American Mineralogist 10 (1925) 281-304
The crystal structures of some metallic sulfides
Locality: natural, unknown
_database_code_amcsd 0000006
5.38 5.38 5.38 90 90 90 Pa3
atom x y z
Fe 0 0 0
S .338 .338 .338
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Pyrite
Bayliss P
American Mineralogist 62 (1977) 1168-1172
Crystal structure refinement of a weakly anisotropic pyrite
cubic model
_database_code_amcsd 0000605
5.4166 5.4166 5.4166 90 90 90 Pa3
atom x y z Biso
Fe 0 0 0 .28
S .3851 .3851 .3851 .33
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Pyrite
Bayliss P
American Mineralogist 62 (1977) 1168-1172
Crystal structure refinement of a weakly anisotropic pyrite
_database_code_amcsd 0000606
5.4166 5.4166 5.4166 90 90 90 P1
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1 .0010 .0020 .0030 .0023 .0024 .0017 .0000 .0000 .0004
Fe2 .4966 .0001 .5036 .0026 .0026 .0019 .0002 -.0003 -.0001
Fe3 .5001 .5020 .0011 .0026 .0021 .0022 .0007 -.0002 -.0003
Fe4 -.0006 .5013 .5038 .0026 .0026 .0016 .0001 -.0002 -.0001
S1 .3857 .3832 .3840 .0020 .0018 .0004 -.0007 -.0003 -.0004
S2 .1149 .6114 .8846 .0038 .0069 .0050 .0002 -.0001 -.0007
S3 .8854 .1157 .6143 .0034 .0001 -.0002 -.0001 -.0004 -.0004
S4 .6153 .8865 .1141 .0039 .0075 .0039 -.0003 -.0008 -.0010
S5 .6151 .6132 .6137 .0035 .0046 .0049 .0002 -.0002 .0000
S6 .8854 .3818 .1149 .0026 -.0005 -.0002 .0000 -.0003 .0002
S7 .1147 .8856 .3841 .0035 .0057 .0054 .0001 -.0003 -.0001
S8 .3857 .1161 .8842 .0014 -.0004 .0011 .0004 .0001 .0004
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Pyrite
Schmid-Beurmann P, Lottermoser W
Physics and Chemistry of Minerals 19 (1993) 571-577
57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2
solid solution series
_database_code_amcsd 0007752
5.7249 5.7249 5.7249 90 90 90 Pa3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe 0 0 0 .75 .0077 .0077 .0077 -.004 -.004 -.004
Cu 0 0 0 .25 .0077 .0077 .0077 -.004 -.004 -.004
S .3966 .3966 .3966 .0074 .0074 .0074 -.0012 -.0012 -.0012
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Pyrite
Schmid-Beurmann P, Lottermoser W
Physics and Chemistry of Minerals 19 (1993) 571-577
57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2
solid solution series
_database_code_amcsd 0007753
5.5624 5.5624 5.5624 90 90 90 Pa3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe 0 0 0 .40 .0063 .0063 .0063 -.003 -.003 -.003
Cu 0 0 0 .60 .0063 .0063 .0063 -.003 -.003 -.003
S .3906 .3906 .3906 .0066 .0066 .0066 -.0014 -.0014 -.0014
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Pyrite
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: synthetic
Sample: As-free pyrite
_database_code_amcsd 0012728
5.416 5.416 5.416 90 90 90 Pa3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe 0 0 0 .0060 .0060 .0060 .00 0 0
S .38488 .38488 .38488 .0066 .0066 .0060 .00 0 0
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Pyrite
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: synthetic
Sample: As-pyrite
_database_code_amcsd 0012729
5.428 5.428 5.428 90 90 90 Pa3
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe 0 0 0 .0066 .0066 .0066 .0001 0 0
S .3848 .3848 .3848 .987 .0070 .0070 .0070 -.0001 0 0
As .3848 .3848 .3848 .013 .0070 .0070 .0070 -.0001 0 0
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Pyrite
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: Dul CSA mine, North Bohemian Basin, Czech Republic
Sample: natural As-pyrite
_database_code_amcsd 0012730
5.429 5.429 5.429 90 90 90 Pa3
atom x y z occ Biso
Fe 0 0 0 1.99
S .385 .385 .385 .73 .97
As .385 .385 .385 .27 .97
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Pyrite
Oftedal I
Zeitschrift fur Physikalische Chemie 135 (1928) 291-299
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2.
Mit einem Anhang uber die Gitterkonstant von Pyrit
_database_code_amcsd 0017728
5.414 5.414 5.414 90 90 90 Pa3
atom x y z
Fe 0 0 0
S .625 .625 .625
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