Pentlandite
	Pearson A D, Buerger M J
	American Mineralogist 41 (1956) 804-805
	Confirmation of the crystal structure of pentlandite.
	_database_code_amcsd 0000079
	10.030 10.030 10.030 90 90 90 Fm3m
	atom x y z occ
	Ni1 .5 .5 .5 .5
	Fe1 .5 .5 .5 .5
	Ni2 .125 .125 .125 .5
	Fe2 .125 .125 .125 .5
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Frood, at 24 deg C
	_database_code_amcsd 0000437
	10.038 10.038 10.038 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .441 .55
	Ni1 .5 .5 .5 .538 .55
	Co1 .5 .5 .5 .008 .55
	Fe2 .12608 .12608 .12608 .441 .42 .00106 .00106 .00106 .00008 .00008 .00008
	Ni2 .12608 .12608 .12608 .538 .42 .00106 .00106 .00106 .00008 .00008 .00008
	Co2 .12608 .12608 .12608 .008 .42 .00106 .00106 .00106 .00008 .00008 .00008
	S1 .25 .25 .25 .58
	S2 .2632 0 0 .42 .0009 .0011 .0011 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Frood, at 200 deg C
	_database_code_amcsd 0000438
	10.158 10.158 10.158 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .441 1.37
	Ni1 .5 .5 .5 .538 1.37
	Co1 .5 .5 .5 .008 1.37
	Fe2 .1265 .1265 .1265 .441 .00291 .00291 .00291 0.0001 0.0001 0.0001
	Ni2 .1265 .1265 .1265 .538 .00291 .00291 .00291 0.0001 0.0001 0.0001
	Co2 .1265 .1265 .1265 .008 .00291 .00291 .00291 0.0001 0.0001 0.0001
	S1 .25 .25 .25 1.31
	S2 .2598 0 0 .0023 .0030 .0030 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Frood, at 24 deg C after heating
	_database_code_amcsd 0000439
	10.093 10.093 10.093 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .441 .77
	Ni1 .5 .5 .5 .538 .77
	Co1 .5 .5 .5 .008 .77
	Fe2 .12632 .12632 .12632 .441 .00184 .00184 .00184 .00008 .00008 .00008
	Ni2 .12632 .12632 .12632 .538 .00184 .00184 .00184 .00008 .00008 .00008
	Co2 .12632 .12632 .12632 .008 .00184 .00184 .00184 .00008 .00008 .00008
	S1 .25 .25 .25 .83
	S2 .2604 0 0 .0015 .0019 .0019 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Outokumpu, at 24 deg C
	_database_code_amcsd 0000440
	9.977 9.977 9.977 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .181 .55
	Ni1 .5 .5 .5 .202 .55
	Co1 .5 .5 .5 .619 .55
	Fe2 .12617 .12617 .12617 .181 .00124 .00124 .00124 .00006 .00006 .00006
	Ni2 .12617 .12617 .12617 .202 .00124 .00124 .00124 .00006 .00006 .00006
	Co2 .12617 .12617 .12617 .619 .00124 .00124 .00124 .00006 .00006 .00006
	S1 .25 .25 .25 .62
	S2 .2623 0 0 .00093 .00138 .00138 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Outokumpu, at 235 deg C
	_database_code_amcsd 0000441
	10.004 10.004 10.004 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .181 1.01
	Ni1 .5 .5 .5 .202 1.01
	Co1 .5 .5 .5 .619 1.01
	Fe2 .12626 .12626 .12626 .181 .00226 .00226 .00226 .0001 .0001 .0001
	Ni2 .12626 .12626 .12626 .202 .00226 .00226 .00226 .0001 .0001 .0001
	Co2 .12626 .12626 .12626 .619 .00226 .00226 .00226 .0001 .0001 .0001
	S1 .25 .25 .25 1.15
	S2 .2622 0 0 .0020 .0022 .0022 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Outokumpu, at 350 deg C
	_database_code_amcsd 0000442
	10.031 10.031 10.031 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .181 1.24
	Ni1 .5 .5 .5 .202 1.24
	Co1 .5 .5 .5 .619 1.24
	Fe2 .12639 .12639 .12639 .181 .0030 .0030 .0030 .00015 .00015 .00015
	Ni2 .12639 .12639 .12639 .202 .0030 .0030 .0030 .00015 .00015 .00015
	Co2 .12639 .12639 .12639 .619 .0030 .0030 .0030 .00015 .00015 .00015
	S1 .25 .25 .25 1.41
	S2 .2618 0 0 .0022 .0029 .0029 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	American Mineralogist 60 (1975) 39-48
	Thermal expansion of the pentlandite structure
	Outokumpu, at 24 deg C after heating
	_database_code_amcsd 0000443
	9.969 9.969 9.969 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Fe1 .5 .5 .5 .181 .66
	Ni1 .5 .5 .5 .202 .66
	Co1 .5 .5 .5 .619 .66
	Fe2 .12615 .12615 .12615 .181 .0014 .0014 .0014 .00011 .00011 .00011
	Ni2 .12615 .12615 .12615 .202 .0014 .0014 .0014 .00011 .00011 .00011
	Co2 .12615 .12615 .12615 .619 .0014 .0014 .0014 .00011 .00011 .00011
	S1 .25 .25 .25 .76
	S2 .2624 0 0 .0014 .0014 .0014 0 0 0
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	Pentlandite
	Tenailleau C, Etschmann B, Ibberson R M, Pring A
	American Mineralogist 91 (2006) 1442-1447
	A neutron powder diffraction study of Fe and Ni distributions in synthetic
	pentlandite and violarite using 60Ni isotope
	Locality: synthetic
	Sample: T = 25 C after annealing at 150 C for 1 month
	_database_code_amcsd 0004226
	10.1075 10.1075 10.1075 90 90 90 Fm3m
	atom x y z occ Uiso
	NiO .5 .5 .5 .57 .0053
	FeO .5 .5 .5 .43 .0053
	FeT .1274 .1274 .1274 .54 .0053
	NiT .1274 .1274 .1274 .46 .0053
	S1 .25 .25 .25 .0038
	S2 .2590 0 0 .0038
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	Pentlandite
	Tenailleau C, Etschmann B, Ibberson R M, Pring A
	American Mineralogist 91 (2006) 1442-1447
	A neutron powder diffraction study of Fe and Ni distributions in synthetic
	pentlandite and violarite using 60Ni isotope
	Locality: synthetic
	Sample: T = 225 C
	_database_code_amcsd 0004227
	10.2045 10.2045 10.2045 90 90 90 Fm3m
	atom x y z occ Uiso
	NiO .5 .5 .5 .50 .0110
	FeO .5 .5 .5 .50 .0110
	FeT .1280 .1280 .1280 .53 .0110
	NiT .1280 .1280 .1280 .47 .0110
	S1 .25 .25 .25 .0053
	S2 .2624 0 0 .0053
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	Pentlandite
	Tenailleau C, Etschmann B, Ibberson R M, Pring A
	American Mineralogist 91 (2006) 1442-1447
	A neutron powder diffraction study of Fe and Ni distributions in synthetic
	pentlandite and violarite using 60Ni isotope
	Locality: synthetic
	Sample: T = 300 C
	_database_code_amcsd 0004228
	10.2349 10.2349 10.2349 90 90 90 Fm3m
	atom x y z occ Uiso
	NiO .5 .5 .5 .50 .0161
	FeO .5 .5 .5 .50 .0161
	FeT .1276 .1276 .1276 .54 .0161
	NiT .1276 .1276 .1276 .46 .0161
	S1 .25 .25 .25 .0099
	S2 .2600 0 0 .0099
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	Pentlandite
	Tenailleau C, Etschmann B, Ibberson R M, Pring A
	American Mineralogist 91 (2006) 1442-1447
	A neutron powder diffraction study of Fe and Ni distributions in synthetic
	pentlandite and violarite using 60Ni isotope
	Locality: synthetic
	Sample: T = 25 C, annealed at 150 C for t = 2 months after high-T expirement
	_database_code_amcsd 0004229
	10.1296 10.1296 10.1296 90 90 90 Fm3m
	atom x y z occ Uiso
	NiO .5 .5 .5 .52 .0095
	FeO .5 .5 .5 .48 .0095
	FeT .1273 .1273 .1273 .52 .0095
	NiT .1273 .1273 .1273 .48 .0095
	S1 .25 .25 .25 .0081
	S2 .2601 0 0 .0081
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	Pentlandite
	Hall S R, Stewart J M
	The Canadian Mineralogist 12 (1973) 169-177
	The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with
	the refined structure of pentlandite (Fe,Ni)9S8
	_database_code_amcsd 0005094
	10.044 10.044 10.044 90 90 90 Fm3m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 .5 .5 .5 .47 .0077 .0077 .0077 0 0 0
	Ni1 .5 .5 .5 .53 .0077 .0077 .0077 0 0 0
	Fe2 .1261 .1261 .1261 .47 .0075 .0075 .0075 .0004 .0004 .0004
	Ni2 .1261 .1261 .1261 .53 .0075 .0075 .0075 .0004 .0004 .0004
	S1 .25 .25 .25 .0095 .0095 .0095 0 0 0
	S2 .2629 0 0 .0068 .0080 .0080 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	The Canadian Mineralogist 12 (1973) 178-187
	Crystal chemistry of natural pentlandite
	Locality: Frood Mine, Ontario, Canada
	_database_code_amcsd 0005095
	10.038 10.038 10.038 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	FeMO .5 .5 .5 .7 .55
	NiMO .5 .5 .5 .3 .55
	NiMT .12608 .12608 .12608 .58 .42 .00106 .00106 .00106 .00008 .00008 .00008
	FeMT .12608 .12608 .12608 .41 .42 .00106 .00106 .00106 .00008 .00008 .00008
	S1 .25 .25 .25 .58
	S2 .2632 0 0 .42 .0009 .0011 .0011 0 0 0
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	Pentlandite
	Rajamani V, Prewitt C T
	The Canadian Mineralogist 12 (1973) 178-187
	Crystal chemistry of natural pentlandite
	Locality: Outokumpu, Finland
	_database_code_amcsd 0005096
	9.977 9.977 9.977 90 90 90 Fm3m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	FeMO .5 .5 .5 .7 .55
	NiMO .5 .5 .5 .3 .55
	NiMT .12617 .12617 .12617 .58 .49 .00124 .00124 .00124 .00006 .00006 .00006
	FeMT .12617 .12617 .12617 .41 .49 .00124 .00124 .00124 .00006 .00006 .00006
	S1 .25 .25 .25 .621
	S2 .2623 0 0 .49 .00093 .00138 .00138 0 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 293 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007699
	10.139 10.139 10.139 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .347
	Ni1 .5 .5 .5 .653
	Fe2 .125 .125 .125 .582
	Ni2 .125 .125 .125 .418
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 433 K, P = 2 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007700
	10.121 10.121 10.121 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .468
	Ni1 .5 .5 .5 .532
	Fe2 .125 .125 .125 .567
	Ni2 .125 .125 .125 .433
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007701
	10.129 10.129 10.129 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .414
	Ni1 .5 .5 .5 .586
	Fe2 .125 .125 .125 .574
	Ni2 .125 .125 .125 .426
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 1 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007702
	10.128 10.128 10.128 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .421
	Ni1 .5 .5 .5 .579
	Fe2 .125 .125 .125 .573
	Ni2 .125 .125 .125 .427
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007703
	10.107 10.107 10.107 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .561
	Ni1 .5 .5 .5 .439
	Fe2 .125 .125 .125 .555
	Ni2 .125 .125 .125 .445
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 2 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007704
	10.087 10.087 10.087 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .697
	Ni1 .5 .5 .5 .303
	Fe2 .125 .125 .125 .538
	Ni2 .125 .125 .125 .462
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 4 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007705
	10.044 10.044 10.044 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .986
	Ni1 .5 .5 .5 .014
	Fe2 .125 .125 .125 .502
	Ni2 .125 .125 .125 .498
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 723 K, P = 1 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007706
	10.123 10.123 10.123 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .455
	Ni1 .5 .5 .5 .545
	Fe2 .125 .125 .125 .569
	Ni2 .125 .125 .125 .431
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 293 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007707
	10.044 10.044 10.044 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .700
	Ni1 .5 .5 .5 .300
	Fe2 .125 .125 .125 .441
	Ni2 .125 .125 .125 .559
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007708
	10.075 10.075 10.075 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .492
	Ni1 .5 .5 .5 .508
	Fe2 .125 .125 .125 .467
	Ni2 .125 .125 .125 .533
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007709
	10.080 10.080 10.080 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .458
	Ni1 .5 .5 .5 .542
	Fe2 .125 .125 .125 .472
	Ni2 .125 .125 .125 .528
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007710
	10.094 10.094 10.094 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .364
	Ni1 .5 .5 .5 .636
	Fe2 .125 .125 .125 .483
	Ni2 .125 .125 .125 .517
	S1 .25 .25 .25
	S2 .25 0 0
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	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007711
	10.101 10.101 10.101 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .317
	Ni1 .5 .5 .5 .683
	Fe2 .125 .125 .125 .489
	Ni2 .125 .125 .125 .511
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007712
	10.100 10.100 10.100 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .324
	Ni1 .5 .5 .5 .676
	Fe2 .125 .125 .125 .488
	Ni2 .125 .125 .125 .512
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007713
	10.073 10.073 10.073 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .506
	Ni1 .5 .5 .5 .494
	Fe2 .125 .125 .125 .465
	Ni2 .125 .125 .125 .535
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007714
	10.082 10.082 10.082 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .445
	Ni1 .5 .5 .5 .555
	Fe2 .125 .125 .125 .473
	Ni2 .125 .125 .125 .527
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007715
	10.098 10.098 10.098 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .337
	Ni1 .5 .5 .5 .663
	Fe2 .125 .125 .125 .487
	Ni2 .125 .125 .125 .513
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 448 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007716
	10.099 10.099 10.099 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .331
	Ni1 .5 .5 .5 .669
	Fe2 .125 .125 .125 .487
	Ni2 .125 .125 .125 .513
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007717
	10.046 10.046 10.046 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .687
	Ni1 .5 .5 .5 .313
	Fe2 .125 .125 .125 .443
	Ni2 .125 .125 .125 .557
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007718
	10.043 10.043 10.043 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .707
	Ni1 .5 .5 .5 .293
	Fe2 .125 .125 .125 .440
	Ni2 .125 .125 .125 .560
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007719
	10.071 10.071 10.071 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .519
	Ni1 .5 .5 .5 .481
	Fe2 .125 .125 .125 .464
	Ni2 .125 .125 .125 .536
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007720
	10.095 10.095 10.095 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .358
	Ni1 .5 .5 .5 .642
	Fe2 .125 .125 .125 .484
	Ni2 .125 .125 .125 .516
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Natural, Fe/(Fe+Ni) = .470, T = 423 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007721
	10.095 10.095 10.095 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .358
	Ni1 .5 .5 .5 .642
	Fe2 .125 .125 .125 .484
	Ni2 .125 .125 .125 .516
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Naturala, Fe/(Fe+Ni) = .470, T = 293 K, P = 1 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007722
	10.044 10.044 10.044 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .700
	Ni1 .5 .5 .5 .300
	Fe2 .125 .125 .125 .441
	Ni2 .125 .125 .125 .559
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Naturala, Fe/(Fe+Ni) = .470, T = 473 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007723
	10.105 10.105 10.105 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .290
	Ni1 .5 .5 .5 .710
	Fe2 .125 .125 .125 .493
	Ni2 .125 .125 .125 .507
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 293 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007724
	10.051 10.051 10.051 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .723
	Ni1 .5 .5 .5 .277
	Fe2 .125 .125 .125 .462
	Ni2 .125 .125 .125 .538
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Tsukimura K, Nakazawa H, Endo T, Fukunaga O
	Physics and Chemistry of Minerals 19 (1992) 203-212
	Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
	temperature and kinetics of the cation exchange reaction
	Sample: Naturalb, Fe/(Fe+Ni) = .491, T = 533 K, P = 0 GPa
	Note: structure was not refined in this study
	_database_code_amcsd 0007725
	10.109 10.109 10.109 90 90 90 Fm3m
	atom x y z occ
	Fe1 .5 .5 .5 .333
	Ni1 .5 .5 .5 .667
	Fe2 .125 .125 .125 .511
	Ni2 .125 .125 .125 .489
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Alsen N
	Geologiska Foreningens i Stockholm Forhandlingar 47 (1925) 19-73
	Roentgenographische Untersuchungen der Kristallstrukturen von
	Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten
	Verbindungen
	_cod_database_code 1011181
	_database_code_amcsd 0018056
	10.04 10.04 10.04 90 90 90 Fm3m
	atom x y z occ
	Fe1 .25 .25 .25 .5
	Fe2 .25 0 0 .5
	Ni1 .25 .25 .25 .5
	Ni2 .25 0 0 .5
	S1 .125 .125 .125
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Lindqvist M, Lindqvist D, Westgren A
	Svensk Kemisk Tidskrift 48 (1936) 156-160
	The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
	_cod_database_code 1011207
	_database_code_amcsd 0018077
	10.09 10.09 10.09 90 90 90 Fm3m
	atom x y z occ
	Fe1 .125 .125 .125 .5
	Ni1 .125 .125 .125 .5
	Fe2 .5 .5 .5 .5
	Ni2 .5 .5 .5 .5
	S1 .25 .25 .25
	S2 .25 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Pentlandite
	Lindqvist M, Lindqvist D, Westgren A
	Svensk Kemisk Tidskrift 48 (1936) 156-160
	The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
	_cod_database_code 1011208
	_database_code_amcsd 0018078
	9.91 9.91 9.91 90 90 90 Fm3m
	atom x y z occ
	Fe1 .125 .125 .125 .667
	Ni1 .125 .125 .125 .333
	Fe2 .5 .5 .5 .667
	Ni2 .5 .5 .5 .333
	S1 .25 .25 .25
	S2 .25 0 0
	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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