Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0003826
	14.2877 5.7363 5.0561 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32935 .25 .202 .0066
	MnA 0 .32935 .25 .767 .0066
	TiA 0 .32935 .25 .028 .0066
	ScA 0 .32935 .25 .001 .0066
	CaA 0 .32935 .25 .001 .0066
	SnA 0 .32935 .25 .001 .0066
	NbB .161507 .18026 .747924 .955 .0047
	TaB .161507 .18026 .747924 .040 .0047
	TiB .161507 .18026 .747924 .004 .0047
	WB .161507 .18026 .747924 .001 .0047
	O1 .09697 .10323 .06932 .0069
	O2 .08150 .38359 .59769 .0080
	O3 .24388 .12397 .41844 .0061
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar
	_database_code_amcsd 0003827
	14.3267 5.7392 5.0674 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32531 .25 .462 .0081
	MnA 0 .32531 .25 .476 .0081
	ScA 0 .32531 .25 .045 .0081
	TiA 0 .32531 .25 .012 .0081
	SnA 0 .32531 .25 .004 .0081
	CaA 0 .32531 .25 .001 .0081
	NbB .162115 .17965 .74368 .903 .0060
	TaB .162115 .17965 .74368 .043 .0060
	TiB .162115 .17965 .74368 .052 .0060
	WB .162115 .17965 .74368 .002 .0060
	O1 .09742 .1025 .0641 .0068
	O2 .08143 .3835 .5974 .0087
	O3 .24383 .1239 .4138 .0069
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.
	_database_code_amcsd 0003828
	14.3434 5.7415 5.0665 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32435 .25 .534 .0079
	MnA 0 .32435 .25 .457 .0079
	TiA 0 .32435 .25 .007 .0079
	SnA 0 .32435 .25 .001 .0079
	CaA 0 .32435 .25 .001 .0079
	NbB .162060 .17992 .74297 .918 .0063
	TaB .162060 .17992 .74297 .047 .0063
	TiB .162060 .17992 .74297 .028 .0063
	WB .162060 .17992 .74297 .007 .0063
	O1 .09738 .1011 .0633 .0084
	O2 .08183 .3842 .5963 .0098
	O3 .24378 .1246 .4138 .0080
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n3p Qm=1 from Kragero, Norway
	_database_code_amcsd 0003829
	14.4003 5.7501 5.0784 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .31956 .25 .806 .0074
	MnA 0 .31956 .25 .148 .0074
	TiA 0 .31956 .25 .034 .0074
	CaA 0 .31956 .25 .008 .0074
	SnA 0 .31956 .25 .003 .0074
	ScA 0 .31956 .25 .001 .0074
	NbB .162545 .17972 .73927 .901 .0056
	TaB .162545 .17972 .73927 .076 .0056
	TiB .162545 .17972 .73927 .023 .0056
	O1 .09818 .0991 .0581 .0084
	O2 .41740 .1164 .0969 .0092
	O3 .75611 .1265 .0900 .0073
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003830
	14.2427 5.7290 5.0856 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .33008 .25 .589 .0077
	NbA 0 .33008 .25 .250 .0077
	MnA 0 .33008 .25 .156 .0077
	TaA 0 .33008 .25 .005 .0077
	NbB .162922 .17652 .74777 .825 .0066
	FeB .162922 .17652 .74777 .100 .0066
	TaB .162922 .17652 .74777 .048 .0066
	MnB .162922 .17652 .74777 .027 .0066
	O1 .09492 .1065 .0718 .0091
	O2 .42004 .1170 .0936 .0100
	O3 .75627 .1218 .0823 .0082
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 600 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003831
	14.2445 5.7265 5.0789 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32929 .25 .625 .0074
	NbA 0 .32929 .25 .207 .0074
	MnA 0 .32929 .25 .165 .0074
	TaA 0 .32929 .25 .003 .0074
	NbB .162846 .17715 .74782 .846 .0062
	FeB .162846 .17715 .74782 .083 .0062
	TaB .162846 .17715 .74782 .049 .0062
	MnB .162846 .17715 .74782 .022 .0062
	O1 .09502 .10630 .0721 .0088
	O2 .41991 .11684 .0944 .0094
	O3 .75624 .12194 .0828 .0080
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 650 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003832
	14.2501 5.7263 5.0767 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32898 .25 .640 .0069
	NbA 0 .32898 .25 .188 .0069
	MnA 0 .32898 .25 .169 .0069
	TaA 0 .32898 .25 .003 .0069
	NbB .162739 .17765 .74783 .856 .0057
	FeB .162739 .17765 .74783 .075 .0057
	TaB .162739 .17765 .74783 .049 .0057
	MnB .162739 .17765 .74783 .020 .0057
	O1 .09526 .10613 .0714 .0085
	O2 .41987 .11665 .0942 .0093
	O3 .75626 .12201 .0822 .0078
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 650 C for t = 200 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003833
	14.2582 5.7290 5.0748 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32890 .25 .657 .0068
	MnA 0 .32890 .25 .173 .0068
	NbA 0 .32890 .25 .168 .0068
	TaA 0 .32890 .25 .002 .0068
	NbB .162585 .17803 .74783 .866 .0056
	FeB .162585 .17803 .74783 .067 .0056
	TaB .162585 .17803 .74783 .049 .0056
	MnB .162585 .17803 .74783 .018 .0056
	O1 .09542 .10587 .0713 .0082
	O2 .41968 .11675 .0947 .0090
	O3 .75611 .12241 .0822 .0074
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 700 C for t = 5 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003834
	14.2600 5.7293 5.0746 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32897 .25 .660 .0067
	MnA 0 .32897 .25 .175 .0067
	NbA 0 .32897 .25 .164 .0067
	TaA 0 .32897 .25 .001 .0067
	NbB .162566 .17806 .74780 .868 .0056
	FeB .162566 .17806 .74780 .066 .0056
	TaB .162566 .17806 .74780 .050 .0056
	MnB .162566 .17806 .74780 .017 .0056
	O1 .09540 .10591 .0712 .0082
	O2 .41965 .11679 .0949 .0093
	O3 .75624 .12256 .0824 .0076
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 700 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003835
	14.2658 5.7299 5.0748 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32883 .25 .664 .0065
	MnA 0 .32883 .25 .175 .0065
	NbA 0 .32883 .25 .161 .0065
	NbB .162499 .178229 .74783 .870 .0052
	FeB .162499 .178229 .74783 .063 .0052
	TaB .162499 .178229 .74783 .050 .0052
	MnB .162499 .178229 .74783 .017 .0052
	O1 .09553 .10546 .0708 .0079
	O2 .41954 .11696 .0949 .0088
	O3 .75613 .12263 .0820 .0074
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 800 C for t = 7 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003836
	14.2733 5.7317 5.0646 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32901 .25 .737 .0059
	MnA 0 .32901 .25 .195 .0059
	NbA 0 .32901 .25 .068 .0059
	NbB .161976 .17932 .747813 .916 .0045
	TaB .161976 .17932 .747813 .050 .0045
	FeB .161976 .17932 .747813 .027 .0045
	MnB .161976 .17932 .747813 .007 .0045
	O1 .09620 .10423 .0702 .0070
	O2 .41902 .11657 .0966 .0081
	O3 .75607 .12332 .0820 .0066
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 800 C for t = 40 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003837
	14.2744 5.7321 5.0616 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32897 .25 .739 .0061
	MnA 0 .32897 .25 .195 .0061
	NbA 0 .32897 .25 .066 .0061
	NbB .161958 .17943 .74774 .917 .0047
	TaB .161958 .17943 .74774 .050 .0047
	FeB .161958 .17943 .74774 .026 .0047
	MnB .161958 .17943 .74774 .007 .0047
	O1 .09645 .10415 .0700 .0070
	O2 .41903 .11675 .0964 .0084
	O3 .75604 .12375 .0821 .0066
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	Ferrocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 950 C for t = 3 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003838
	14.2852 5.7361 5.0574 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32904 .25 .785 .0059
	MnA 0 .32904 .25 .207 .0059
	NbA 0 .32904 .25 .008 .0059
	NbB .161550 .18024 .747862 .945 .0041
	TaB .161550 .18024 .747862 .051 .0041
	FeB .161550 .18024 .747862 .003 .0041
	MnB .161550 .18024 .747862 .001 .0041
	O1 .09692 .10376 .0692 .0059
	O2 .41864 .11713 .0977 .0077
	O3 .75587 .12388 .0814 .0061
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.565 from Kragero, Norway
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003839
	14.325 5.744 5.113 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32419 .25 .555 .0111
	NbA 0 .32419 .25 .235 .0111
	FeA 0 .32419 .25 .099 .0111
	TaA 0 .32419 .25 .046 .0111
	TiA 0 .32419 .25 .024 .0111
	CaA 0 .32419 .25 .009 .0111
	NbB .16390 .17599 .74219 .770 .0073
	MnB .16390 .17599 .74219 .117 .0073
	TaB .16390 .17599 .74219 .066 .0073
	FeB .16390 .17599 .74219 .021 .0073
	TiB .16390 .17599 .74219 .002 .0073
	O1 .0958 .1035 .0645 .0132
	O2 .4198 .1159 .0925 .0125
	O3 .7569 .1224 .0880 .0099
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.674 from Kragero, Norway
	Sample: Annealed at T = 500 C for t = 15 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003840
	14.344 5.739 5.105 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32241 .25 .612 .0097
	FeA 0 .32241 .25 .110 .0097
	NbA 0 .32241 .25 .167 .0097
	TaA 0 .32241 .25 .042 .0097
	TiA 0 .32241 .25 .026 .0097
	CaA 0 .32241 .25 .008 .0097
	NbB .16371 .17733 .74098 .804 .0076
	MnB .16371 .17733 .74098 .087 .0076
	TaB .16371 .17733 .74098 .068 .0076
	FeB .16371 .17733 .74098 .016 .0076
	TiB .16371 .17733 .74098 .002 .0076
	O1 .0959 .1041 .0632 .0140
	O2 .4188 .1163 .0927 .0124
	O3 .7563 .1234 .0888 .0110
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.742 from Kragero, Norway
	Sample: Annealed at T = 530 C for t = 92 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003841
	14.334 5.737 5.096 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32200 .25 .648 .0098
	NbA 0 .32200 .25 .123 .0098
	FeA 0 .32200 .25 .116 .0098
	TaA 0 .32200 .25 .044 .0098
	TiA 0 .32200 .25 .028 .0098
	CaA 0 .32200 .25 .008 .0098
	NbB .16367 .17764 .74094 .826 .0076
	MnB .16367 .17764 .74094 .069 .0076
	TaB .16367 .17764 .74094 .067 .0076
	FeB .16367 .17764 .74094 .012 .0076
	TiB .16367 .17764 .74094 .002 .0076
	O1 .0962 .1037 .0627 .0135
	O2 .4191 .1155 .0928 .0125
	O3 .75668 .1233 .0891 .0102
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.817 from Kragero, Norway
	Sample: Annealed at T = 600 C for t = 67 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003842
	14.352 5.740 5.093 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32118 .25 .687 .0087
	FeA 0 .32118 .25 .123 .0087
	NbA 0 .32118 .25 .077 .0087
	TaA 0 .32118 .25 .040 .0087
	TiA 0 .32118 .25 .030 .0087
	CaA 0 .32118 .25 .008 .0087
	NbB .16339 .17830 .74020 .849 .0066
	TaB .16339 .17830 .74020 .069 .0066
	MnB .16339 .17830 .74020 .049 .0066
	FeB .16339 .17830 .74020 .009 .0066
	TiB .16339 .17830 .74020 .001 .0066
	O1 .09674 .1020 .0604 .0121
	O2 .41849 .1154 .0934 .0118
	O3 .75638 .1235 .0884 .0095
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.844 from Kragero, Norway
	Sample: Annealed at T = 600 C for t = 177 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003843
	14.352 5.740 5.090 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32096 .25 .701 .0091
	FeA 0 .32096 .25 .126 .0091
	NbA 0 .32096 .25 .061 .0091
	TaA 0 .32096 .25 .039 .0091
	TiA 0 .32096 .25 .030 .0091
	CaA 0 .32096 .25 .009 .0091
	NbB .16331 .17850 .74029 .857 .0069
	TaB .16331 .17850 .74029 .069 .0069
	MnB .16331 .17850 .74029 .042 .0069
	FeB .16331 .17850 .74029 .007 .0069
	TiB .16331 .17850 .74029 .001 .0069
	O1 .0970 .1019 .0603 .0127
	O2 .4187 .1151 .0942 .0120
	O3 .7564 .1239 .0890 .0098
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	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.922 from Kragero, Norway
	Sample: Annealed at T = 700 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003844
	14.380 5.745 5.088 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32071 .25 .741 .0064
	FeA 0 .32071 .25 .133 .0064
	TiA 0 .32071 .25 .032 .0064
	NbA 0 .32071 .25 .023 .0064
	TaA 0 .32071 .25 .028 .0064
	CaA 0 .32071 .25 .009 .0064
	NbB .16305 .17880 .73984 .876 .0044
	TaB .16305 .17880 .73984 .075 .0044
	MnB .16305 .17880 .73984 .021 .0044
	FeB .16305 .17880 .73984 .004 .0044
	O1 .0972 .1005 .0597 .0091
	O2 .4181 .1155 .0957 .0094
	O3 .7562 .1247 .0897 .0069
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.960 from Kragero, Norway
	Sample: Annealed at T = 800 C for t = 15 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003845
	14.380 5.750 5.084 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32024 .25 .761 .0063
	FeA 0 .32024 .25 .136 .0063
	TiA 0 .32024 .25 .033 .0063
	TaA 0 .32024 .25 .023 .0063
	CaA 0 .32024 .25 .009 .0063
	NbA 0 .32024 .25 .004 .0063
	NbB .162783 .17929 .73941 .885 .0041
	TaB .162783 .17929 .73941 .078 .0041
	MnB .162783 .17929 .73941 .011 .0041
	FeB .162783 .17929 .73941 .002 .0041
	O1 .09794 .0999 .0582 .0080
	O2 .41751 .1158 .0961 .0087
	O3 .75611 .1255 .0901 .0062
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Manganocolumbite
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=1 from Kragero, Norway
	Sample: Annealed at T = 800 C for t = 24 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003846
	14.395 5.753 5.083 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .31996 .25 .782 .0049
	FeA 0 .31996 .25 .140 .0049
	TiA 0 .31996 .25 .034 .0049
	CaA 0 .31996 .25 .010 .0049
	NbB .162594 .17958 .73910 .889 .0041
	TaB .162594 .17958 .73910 .089 .0041
	O1 .09828 .0992 .0575 .0072
	O2 .41726 .1154 .0964 .0082
	O3 .75608 .1253 .0896 .0058
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0003847
	14.2877 5.7363 5.0561 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32935 .25 .202 .0066
	MnA 0 .32935 .25 .767 .0066
	TiA 0 .32935 .25 .028 .0066
	ScA 0 .32935 .25 .001 .0066
	CaA 0 .32935 .25 .001 .0066
	SnA 0 .32935 .25 .001 .0066
	NbB .161507 .18026 .747924 .955 .0047
	TaB .161507 .18026 .747924 .040 .0047
	TiB .161507 .18026 .747924 .004 .0047
	WB .161507 .18026 .747924 .001 .0047
	O1 .09697 .10323 .06932 .0069
	O2 .08150 .38359 .59769 .0080
	O3 .24388 .12397 .41844 .0061
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar
	_database_code_amcsd 0003848
	14.3267 5.7392 5.0674 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32531 .25 .462 .0081
	MnA 0 .32531 .25 .476 .0081
	ScA 0 .32531 .25 .045 .0081
	TiA 0 .32531 .25 .012 .0081
	SnA 0 .32531 .25 .004 .0081
	CaA 0 .32531 .25 .001 .0081
	NbB .162115 .17965 .74368 .903 .0060
	TaB .162115 .17965 .74368 .043 .0060
	TiB .162115 .17965 .74368 .052 .0060
	WB .162115 .17965 .74368 .002 .0060
	O1 .09742 .1025 .0641 .0068
	O2 .08143 .3835 .5974 .0087
	O3 .24383 .1239 .4138 .0069
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.
	_database_code_amcsd 0003849
	14.3434 5.7415 5.0665 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32435 .25 .534 .0079
	MnA 0 .32435 .25 .457 .0079
	TiA 0 .32435 .25 .007 .0079
	SnA 0 .32435 .25 .001 .0079
	CaA 0 .32435 .25 .001 .0079
	NbB .162060 .17992 .74297 .918 .0063
	TaB .162060 .17992 .74297 .047 .0063
	TiB .162060 .17992 .74297 .028 .0063
	WB .162060 .17992 .74297 .007 .0063
	O1 .09738 .1011 .0633 .0084
	O2 .08183 .3842 .5963 .0098
	O3 .24378 .1246 .4138 .0080
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n3p Qm=1 from Kragero, Norway
	_database_code_amcsd 0003850
	14.4003 5.7501 5.0784 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .31956 .25 .806 .0074
	MnA 0 .31956 .25 .148 .0074
	TiA 0 .31956 .25 .034 .0074
	CaA 0 .31956 .25 .008 .0074
	SnA 0 .31956 .25 .003 .0074
	ScA 0 .31956 .25 .001 .0074
	NbB .162545 .17972 .73927 .901 .0056
	TaB .162545 .17972 .73927 .076 .0056
	TiB .162545 .17972 .73927 .023 .0056
	O1 .09818 .0991 .0581 .0084
	O2 .41740 .1164 .0969 .0092
	O3 .75611 .1265 .0900 .0073
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003851
	14.2427 5.7290 5.0856 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .33008 .25 .589 .0077
	NbA 0 .33008 .25 .250 .0077
	MnA 0 .33008 .25 .156 .0077
	TaA 0 .33008 .25 .005 .0077
	NbB .162922 .17652 .74777 .825 .0066
	FeB .162922 .17652 .74777 .100 .0066
	TaB .162922 .17652 .74777 .048 .0066
	MnB .162922 .17652 .74777 .027 .0066
	O1 .09492 .1065 .0718 .0091
	O2 .42004 .1170 .0936 .0100
	O3 .75627 .1218 .0823 .0082
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 600 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003852
	14.2445 5.7265 5.0789 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32929 .25 .625 .0074
	NbA 0 .32929 .25 .207 .0074
	MnA 0 .32929 .25 .165 .0074
	TaA 0 .32929 .25 .003 .0074
	NbB .162846 .17715 .74782 .846 .0062
	FeB .162846 .17715 .74782 .083 .0062
	TaB .162846 .17715 .74782 .049 .0062
	MnB .162846 .17715 .74782 .022 .0062
	O1 .09502 .10630 .0721 .0088
	O2 .41991 .11684 .0944 .0094
	O3 .75624 .12194 .0828 .0080
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 650 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003853
	14.2501 5.7263 5.0767 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32898 .25 .640 .0069
	NbA 0 .32898 .25 .188 .0069
	MnA 0 .32898 .25 .169 .0069
	TaA 0 .32898 .25 .003 .0069
	NbB .162739 .17765 .74783 .856 .0057
	FeB .162739 .17765 .74783 .075 .0057
	TaB .162739 .17765 .74783 .049 .0057
	MnB .162739 .17765 .74783 .020 .0057
	O1 .09526 .10613 .0714 .0085
	O2 .41987 .11665 .0942 .0093
	O3 .75626 .12201 .0822 .0078
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 650 C for t = 200 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003854
	14.2582 5.7290 5.0748 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32890 .25 .657 .0068
	MnA 0 .32890 .25 .173 .0068
	NbA 0 .32890 .25 .168 .0068
	TaA 0 .32890 .25 .002 .0068
	NbB .162585 .17803 .74783 .866 .0056
	FeB .162585 .17803 .74783 .067 .0056
	TaB .162585 .17803 .74783 .049 .0056
	MnB .162585 .17803 .74783 .018 .0056
	O1 .09542 .10587 .0713 .0082
	O2 .41968 .11675 .0947 .0090
	O3 .75611 .12241 .0822 .0074
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 700 C for t = 5 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003855
	14.2600 5.7293 5.0746 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32897 .25 .660 .0067
	MnA 0 .32897 .25 .175 .0067
	NbA 0 .32897 .25 .164 .0067
	TaA 0 .32897 .25 .001 .0067
	NbB .162566 .17806 .74780 .868 .0056
	FeB .162566 .17806 .74780 .066 .0056
	TaB .162566 .17806 .74780 .050 .0056
	MnB .162566 .17806 .74780 .017 .0056
	O1 .09540 .10591 .0712 .0082
	O2 .41965 .11679 .0949 .0093
	O3 .75624 .12256 .0824 .0076
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 700 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003856
	14.2658 5.7299 5.0748 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32883 .25 .664 .0065
	MnA 0 .32883 .25 .175 .0065
	NbA 0 .32883 .25 .161 .0065
	NbB .162499 .178229 .74783 .870 .0052
	FeB .162499 .178229 .74783 .063 .0052
	TaB .162499 .178229 .74783 .050 .0052
	MnB .162499 .178229 .74783 .017 .0052
	O1 .09553 .10546 .0708 .0079
	O2 .41954 .11696 .0949 .0088
	O3 .75613 .12263 .0820 .0074
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 800 C for t = 7 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003857
	14.2733 5.7317 5.0646 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32901 .25 .737 .0059
	MnA 0 .32901 .25 .195 .0059
	NbA 0 .32901 .25 .068 .0059
	NbB .161976 .17932 .747813 .916 .0045
	TaB .161976 .17932 .747813 .050 .0045
	FeB .161976 .17932 .747813 .027 .0045
	MnB .161976 .17932 .747813 .007 .0045
	O1 .09620 .10423 .0702 .0070
	O2 .41902 .11657 .0966 .0081
	O3 .75607 .12332 .0820 .0066
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 800 C for t = 40 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003858
	14.2744 5.7321 5.0616 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32897 .25 .739 .0061
	MnA 0 .32897 .25 .195 .0061
	NbA 0 .32897 .25 .066 .0061
	NbB .161958 .17943 .74774 .917 .0047
	TaB .161958 .17943 .74774 .050 .0047
	FeB .161958 .17943 .74774 .026 .0047
	MnB .161958 .17943 .74774 .007 .0047
	O1 .09645 .10415 .0700 .0070
	O2 .41903 .11675 .0964 .0084
	O3 .75604 .12375 .0821 .0066
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Fe)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil
	Sample: Annealed at T = 950 C for t = 3 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003859
	14.2852 5.7361 5.0574 90 90 90 Pbcn
	atom x y z occ Uiso
	FeA 0 .32904 .25 .785 .0059
	MnA 0 .32904 .25 .207 .0059
	NbA 0 .32904 .25 .008 .0059
	NbB .161550 .18024 .747862 .945 .0041
	TaB .161550 .18024 .747862 .051 .0041
	FeB .161550 .18024 .747862 .003 .0041
	MnB .161550 .18024 .747862 .001 .0041
	O1 .09692 .10376 .0692 .0059
	O2 .41864 .11713 .0977 .0077
	O3 .75587 .12388 .0814 .0061
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.565 from Kragero, Norway
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003860
	14.325 5.744 5.113 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32419 .25 .555 .0111
	NbA 0 .32419 .25 .235 .0111
	FeA 0 .32419 .25 .099 .0111
	TaA 0 .32419 .25 .046 .0111
	TiA 0 .32419 .25 .024 .0111
	CaA 0 .32419 .25 .009 .0111
	NbB .16390 .17599 .74219 .770 .0073
	MnB .16390 .17599 .74219 .117 .0073
	TaB .16390 .17599 .74219 .066 .0073
	FeB .16390 .17599 .74219 .021 .0073
	TiB .16390 .17599 .74219 .002 .0073
	O1 .0958 .1035 .0645 .0132
	O2 .4198 .1159 .0925 .0125
	O3 .7569 .1224 .0880 .0099
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.674 from Kragero, Norway
	Sample: Annealed at T = 500 C for t = 15 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003861
	14.344 5.739 5.105 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32241 .25 .612 .0097
	FeA 0 .32241 .25 .110 .0097
	NbA 0 .32241 .25 .167 .0097
	TaA 0 .32241 .25 .042 .0097
	TiA 0 .32241 .25 .026 .0097
	CaA 0 .32241 .25 .008 .0097
	NbB .16371 .17733 .74098 .804 .0076
	MnB .16371 .17733 .74098 .087 .0076
	TaB .16371 .17733 .74098 .068 .0076
	FeB .16371 .17733 .74098 .016 .0076
	TiB .16371 .17733 .74098 .002 .0076
	O1 .0959 .1041 .0632 .0140
	O2 .4188 .1163 .0927 .0124
	O3 .7563 .1234 .0888 .0110
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.742 from Kragero, Norway
	Sample: Annealed at T = 530 C for t = 92 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003862
	14.334 5.737 5.096 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32200 .25 .648 .0098
	NbA 0 .32200 .25 .123 .0098
	FeA 0 .32200 .25 .116 .0098
	TaA 0 .32200 .25 .044 .0098
	TiA 0 .32200 .25 .028 .0098
	CaA 0 .32200 .25 .008 .0098
	NbB .16367 .17764 .74094 .826 .0076
	MnB .16367 .17764 .74094 .069 .0076
	TaB .16367 .17764 .74094 .067 .0076
	FeB .16367 .17764 .74094 .012 .0076
	TiB .16367 .17764 .74094 .002 .0076
	O1 .0962 .1037 .0627 .0135
	O2 .4191 .1155 .0928 .0125
	O3 .75668 .1233 .0891 .0102
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.817 from Kragero, Norway
	Sample: Annealed at T = 600 C for t = 67 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003863
	14.352 5.740 5.093 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32118 .25 .687 .0087
	FeA 0 .32118 .25 .123 .0087
	NbA 0 .32118 .25 .077 .0087
	TaA 0 .32118 .25 .040 .0087
	TiA 0 .32118 .25 .030 .0087
	CaA 0 .32118 .25 .008 .0087
	NbB .16339 .17830 .74020 .849 .0066
	TaB .16339 .17830 .74020 .069 .0066
	MnB .16339 .17830 .74020 .049 .0066
	FeB .16339 .17830 .74020 .009 .0066
	TiB .16339 .17830 .74020 .001 .0066
	O1 .09674 .1020 .0604 .0121
	O2 .41849 .1154 .0934 .0118
	O3 .75638 .1235 .0884 .0095
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.844 from Kragero, Norway
	Sample: Annealed at T = 600 C for t = 177 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003864
	14.352 5.740 5.090 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32096 .25 .701 .0091
	FeA 0 .32096 .25 .126 .0091
	NbA 0 .32096 .25 .061 .0091
	TaA 0 .32096 .25 .039 .0091
	TiA 0 .32096 .25 .030 .0091
	CaA 0 .32096 .25 .009 .0091
	NbB .16331 .17850 .74029 .857 .0069
	TaB .16331 .17850 .74029 .069 .0069
	MnB .16331 .17850 .74029 .042 .0069
	FeB .16331 .17850 .74029 .007 .0069
	TiB .16331 .17850 .74029 .001 .0069
	O1 .0970 .1019 .0603 .0127
	O2 .4187 .1151 .0942 .0120
	O3 .7564 .1239 .0890 .0098
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.922 from Kragero, Norway
	Sample: Annealed at T = 700 C for t = 20 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003865
	14.380 5.745 5.088 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32071 .25 .741 .0064
	FeA 0 .32071 .25 .133 .0064
	TiA 0 .32071 .25 .032 .0064
	NbA 0 .32071 .25 .023 .0064
	TaA 0 .32071 .25 .028 .0064
	CaA 0 .32071 .25 .009 .0064
	NbB .16305 .17880 .73984 .876 .0044
	TaB .16305 .17880 .73984 .075 .0044
	MnB .16305 .17880 .73984 .021 .0044
	FeB .16305 .17880 .73984 .004 .0044
	O1 .0972 .1005 .0597 .0091
	O2 .4181 .1155 .0957 .0094
	O3 .7562 .1247 .0897 .0069
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	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=0.960 from Kragero, Norway
	Sample: Annealed at T = 800 C for t = 15 m
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003866
	14.380 5.750 5.084 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .32024 .25 .761 .0063
	FeA 0 .32024 .25 .136 .0063
	TiA 0 .32024 .25 .033 .0063
	TaA 0 .32024 .25 .023 .0063
	CaA 0 .32024 .25 .009 .0063
	NbA 0 .32024 .25 .004 .0063
	NbB .162783 .17929 .73941 .885 .0041
	TaB .162783 .17929 .73941 .078 .0041
	MnB .162783 .17929 .73941 .011 .0041
	FeB .162783 .17929 .73941 .002 .0041
	O1 .09794 .0999 .0582 .0080
	O2 .41751 .1158 .0961 .0087
	O3 .75611 .1255 .0901 .0062
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	Columbite-(Mn)
	Tarantino S C, Zema M
	American Mineralogist 90 (2005) 1291-1300
	Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
	A single-crystal X-ray diffraction study
	Sample: KRA n4 Qm=1 from Kragero, Norway
	Sample: Annealed at T = 800 C for t = 24 h
	Note: Occupancies calculated assuming complete Fe/Mn disorder
	_database_code_amcsd 0003867
	14.395 5.753 5.083 90 90 90 Pbcn
	atom x y z occ Uiso
	MnA 0 .31996 .25 .782 .0049
	FeA 0 .31996 .25 .140 .0049
	TiA 0 .31996 .25 .034 .0049
	CaA 0 .31996 .25 .010 .0049
	NbB .162594 .17958 .73910 .889 .0041
	TaB .162594 .17958 .73910 .089 .0041
	O1 .09828 .0992 .0575 .0072
	O2 .41726 .1154 .0964 .0082
	O3 .75608 .1253 .0896 .0058
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, untreated
	_database_code_amcsd 0003962
	9.7071 8.9435 5.2481 90 108.483 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255192 .017045 .228309 .1437 .010112 .011311 .007101 .000456 .000647 .001611
	FeM2A .255192 .017045 .228309 .6362 .010112 .011311 .007101 .000456 .000647 .001611
	CaM2A .255192 .017045 .228309 .0784 .010112 .011311 .007101 .000456 .000647 .001611
	MnM2A .255192 .017045 .228309 .0259 .010112 .011311 .007101 .000456 .000647 .001611
	NaM2A .255192 .017045 .228309 .0030 .010112 .011311 .007101 .000456 .000647 .001611
	CaM2B .254036 .049506 .249442 .1128 .011423
	MgM1 .250490 .654727 .232121 .7764 .008018 .006763 .007727 .000121 .002449 .000458
	Fe2+M1 .250490 .654727 .232121 .1960 .008018 .006763 .007727 .000121 .002449 .000458
	Fe3+M1 .250490 .654727 .232121 .0147 .008018 .006763 .007727 .000121 .002449 .000458
	TiM1 .250490 .654727 .232121 .0101 .008018 .006763 .007727 .000121 .002449 .000458
	MnM1 .250490 .654727 .232121 .0027 .008018 .006763 .007727 .000121 .002449 .000458
	SiA .042638 .340507 .275819 .006146 .006198 .009999 -.000581 .003367 -.000616
	SiB .549269 .837496 .238663 .9840 .006599 .006249 .007780 -.001068 .002828 -.000944
	AlB .549269 .837496 .238663 .0160 .006599 .006249 .007780 -.001068 .002828 -.000944
	O1A .867633 .338142 .168299 .006561 .009023 .009713 .000532 .002613 .000062
	O2A .121624 .499486 .332181 .012521 .008224 .013628 -.003275 .005907 -.001811
	O3A .104270 .261080 .576279 .009289 .023267 .021057 .000787 .004399 .014429
	O1B .373603 .836609 .134765 .007080 .009612 .009962 .000376 .002903 -.000022
	O2B .628732 .987868 .372233 .014739 .011594 .021224 -.006085 .010302 -.007512
	O3B .604937 .709499 .481649 .008494 .021313 .012807 .000717 .003991 .007685
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 10 min
	_database_code_amcsd 0003963
	9.7093 8.9417 5.2479 90 108.507 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255175 .016824 .228003 .1519 .009804 .010982 .006652 .000330 .000634 .001771
	FeM2A .255175 .016824 .228003 .6279 .009804 .010982 .006652 .000330 .000634 .001771
	CaM2A .255175 .016824 .228003 .0685 .009804 .010982 .006652 .000330 .000634 .001771
	MnM2A .255175 .016824 .228003 .0256 .009804 .010982 .006652 .000330 .000634 .001771
	NaM2A .255175 .016824 .228003 .0031 .009804 .010982 .006652 .000330 .000634 .001771
	CaM2B .254366 .048966 .251399 .1230 .011947
	MgM1 .250449 .654666 .232018 .7705 .007892 .006868 .007510 .000123 .002515 .000322
	Fe2+M1 .250449 .654666 .232018 .2019 .007892 .006868 .007510 .000123 .002515 .000322
	Fe3+M1 .250449 .654666 .232018 .0146 .007892 .006868 .007510 .000123 .002515 .000322
	TiM1 .250449 .654666 .232018 .0102 .007892 .006868 .007510 .000123 .002515 .000322
	MnM1 .250449 .654666 .232018 .0028 .007892 .006868 .007510 .000123 .002515 .000322
	SiA .042724 .340569 .276099 .005954 .006368 .010041 -.000484 .003389 -.000737
	SiB .549302 .837437 .238780 .9840 .006294 .006299 .007849 -.001011 .002728 -.000871
	AlB .549302 .837437 .238780 .0160 .006294 .006299 .007849 -.001011 .002728 -.000871
	O1A .867648 .338212 .168308 .006543 .009127 .009852 .000145 .002670 -.000147
	O2A .121580 .499459 .332112 .012883 .008605 .013443 -.003279 .006090 -.001640
	O3A .104147 .260814 .575613 .008351 .023596 .021535 .000707 .004262 .015074
	O1B .373643 .836670 .134859 .007149 .009144 .010226 .000213 .003312 -.000106
	O2B .628662 .987816 .372068 .014679 .011356 .021234 -.005953 .010112 -.007620
	O3B .604880 .709521 .481878 .007746 .019677 .013302 .000738 .003369 .007742
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 20 min
	_database_code_amcsd 0003964
	9.7057 8.9396 5.2453 90 108.478 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255195 .016378 .227770 .1539 .009633 .010408 .006359 .000099 .000355 .001719
	FeM2A .255195 .016378 .227770 .6259 .009633 .010408 .006359 .000099 .000355 .001719
	CaM2A .255195 .016378 .227770 .0417 .009633 .010408 .006359 .000099 .000355 .001719
	MnM2A .255195 .016378 .227770 .0259 .009633 .010408 .006359 .000099 .000355 .001719
	NaM2A .255195 .016378 .227770 .0030 .009633 .010408 .006359 .000099 .000355 .001719
	CaM2B .254515 .046766 .248789 .1496 .012800
	MgM1 .250434 .654621 .232036 .7650 .007862 .007063 .007474 .000191 .002392 .000402
	Fe2+M1 .250434 .654621 .232036 .2072 .007862 .007063 .007474 .000191 .002392 .000402
	Fe3+M1 .250434 .654621 .232036 .0148 .007862 .007063 .007474 .000191 .002392 .000402
	TiM1 .250434 .654621 .232036 .0101 .007862 .007063 .007474 .000191 .002392 .000402
	MnM1 .250434 .654621 .232036 .0030 .007862 .007063 .007474 .000191 .002392 .000402
	SiA .042741 .340553 .275997 .005922 .006463 .010119 -.000549 .003336 -.000667
	SiB .549321 .837429 .238665 .9840 .006232 .006442 .007641 -.001078 .002677 -.000971
	AlB .549321 .837429 .238665 .0160 .006232 .006442 .007641 -.001078 .002677 -.000971
	O1A .867567 .338158 .168337 .006511 .009185 .009683 .000298 .002699 .000057
	O2A .121531 .499429 .332093 .012442 .008799 .013176 -.003649 .006069 -.001310
	O3A .104077 .261054 .576241 .008430 .023232 .020936 .000398 .004143 .013858
	O1B .373598 .836571 .134869 .006819 .009626 .009984 .000187 .003004 -.000047
	O2B .628675 .987776 .371983 .014459 .011626 .021699 -.006207 .010426 -.007520
	O3B .604868 .709349 .481560 .007418 .019820 .013563 .000328 .003382 .007992
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 30 min
	_database_code_amcsd 0003965
	9.7118 8.9442 5.2484 90 108.496 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255178 .016731 .227992 .1551 .009961 .010658 .006542 .000424 .000539 .001749
	FeM2A .255178 .016731 .227992 .6248 .009961 .010658 .006542 .000424 .000539 .001749
	CaM2A .255178 .016731 .227992 .0647 .009961 .010658 .006542 .000424 .000539 .001749
	MnM2A .255178 .016731 .227992 .0261 .009961 .010658 .006542 .000424 .000539 .001749
	NaM2A .255178 .016731 .227992 .0029 .009961 .010658 .006542 .000424 .000539 .001749
	CaM2B .254518 .048988 .249693 .1265 .011822
	MgM1 .250455 .654629 .231946 .7613 .007900 .006743 .007402 .000044 .002435 .000374
	Fe2+M1 .250455 .654629 .231946 .2107 .007900 .006743 .007402 .000044 .002435 .000374
	Fe3+M1 .250455 .654629 .231946 .0149 .007900 .006743 .007402 .000044 .002435 .000374
	TiM1 .250455 .654629 .231946 .0100 .007900 .006743 .007402 .000044 .002435 .000374
	MnM1 .250455 .654629 .231946 .0030 .007900 .006743 .007402 .000044 .002435 .000374
	SiA .042790 .340603 .276138 .005990 .006121 .010041 -.000501 .003395 -.000624
	SiB .549378 .837484 .238604 .9840 .006307 .006105 .007522 -.001082 .002733 -.000976
	AlB .549378 .837484 .238604 .0160 .006307 .006105 .007522 -.001082 .002733 -.000976
	O1A .867607 .338152 .168397 .006136 .009434 .009516 .000266 .002695 -.000189
	O2A .121617 .499487 .331951 .012329 .008561 .013115 -.003371 .006020 -.001490
	O3A .104127 .261162 .575990 .008378 .021988 .020827 -.000004 .003555 .013592
	O1B .373598 .836558 .134631 .006870 .009857 .009276 .000853 .003161 -.000025
	O2B .628802 .987730 .372164 .013914 .012181 .020690 -.005909 .009799 -.007734
	O3B .604690 .709516 .481112 .007572 .019643 .013321 .000531 .003398 .008103
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 50 min
	_database_code_amcsd 0003966
	9.7114 8.9473 5.2513 90 108.475 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255237 .016458 .227752 .1628 .009832 .010263 .006467 .000228 .000669 .001978
	FeM2A .255237 .016458 .227752 .6172 .009832 .010263 .006467 .000228 .000669 .001978
	CaM2A .255237 .016458 .227752 .0504 .009832 .010263 .006467 .000228 .000669 .001978
	MnM2A .255237 .016458 .227752 .0256 .009832 .010263 .006467 .000228 .000669 .001978
	NaM2A .255237 .016458 .227752 .0030 .009832 .010263 .006467 .000228 .000669 .001978
	CaM2B .253810 .047303 .248865 .1409 .011389
	MgM1 .250406 .654637 .231905 .7565 .007893 .006832 .007470 .000218 .002548 .000478
	Fe2+M1 .250406 .654637 .231905 .2155 .007893 .006832 .007470 .000218 .002548 .000478
	Fe3+M1 .250406 .654637 .231905 .0148 .007893 .006832 .007470 .000218 .002548 .000478
	TiM1 .250406 .654637 .231905 .0101 .007893 .006832 .007470 .000218 .002548 .000478
	MnM1 .250406 .654637 .231905 .0031 .007893 .006832 .007470 .000218 .002548 .000478
	SiA .042738 .340550 .276215 .005950 .006317 .009821 -.000614 .003354 -.000574
	SiB .549291 .837473 .238617 .9840 .006355 .006151 .007352 -.000987 .002710 -.000938
	AlB .549291 .837473 .238617 .0160 .006355 .006151 .007352 -.000987 .002710 -.000938
	O1A .867653 .338136 .168662 .006510 .009159 .009649 .000262 .002632 -.000044
	O2A .121559 .499573 .332035 .013078 .007921 .014102 -.003259 .006603 -.001456
	O3A .104157 .261208 .576601 .007971 .023237 .020596 .000275 .003929 .014404
	O1B .373534 .836612 .134596 .007187 .009343 .009992 .000460 .002896 .000019
	O2B .628802 .987827 .372569 .014486 .011598 .020944 -.005803 .010136 -.007057
	O3B .604852 .709118 .481534 .007324 .020455 .012805 .000268 .003094 .007788
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 90 min
	_database_code_amcsd 0003967
	9.7087 8.9405 5.2468 90 108.496 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255218 .016478 .227696 .1723 .009708 .010333 .006363 .000283 .000529 .001827
	FeM2A .255218 .016478 .227696 .6079 .009708 .010333 .006363 .000283 .000529 .001827
	CaM2A .255218 .016478 .227696 .0520 .009708 .010333 .006363 .000283 .000529 .001827
	MnM2A .255218 .016478 .227696 .0255 .009708 .010333 .006363 .000283 .000529 .001827
	NaM2A .255218 .016478 .227696 .0030 .009708 .010333 .006363 .000283 .000529 .001827
	CaM2B .254562 .047268 .248565 .1393 .011757
	MgM1 .250428 .654596 .231772 .7477 .007858 .006802 .007508 .000155 .002528 .000453
	Fe2+M1 .250428 .654596 .231772 .2243 .007858 .006802 .007508 .000155 .002528 .000453
	Fe3+M1 .250428 .654596 .231772 .0147 .007858 .006802 .007508 .000155 .002528 .000453
	TiM1 .250428 .654596 .231772 .0101 .007858 .006802 .007508 .000155 .002528 .000453
	MnM1 .250428 .654596 .231772 .0032 .007858 .006802 .007508 .000155 .002528 .000453
	SiA .042762 .340538 .276342 .005816 .006265 .009845 -.000562 .003324 -.000636
	SiB .549342 .837438 .238697 .9840 .006371 .006137 .007362 -.001128 .002787 -.001044
	AlB .549342 .837438 .238697 .0160 .006371 .006137 .007362 -.001128 .002787 -.001044
	O1A .867667 .338264 .168694 .006401 .009375 .009084 .000371 .002511 -.000162
	O2A .121428 .499568 .331890 .012573 .008123 .013352 -.003330 .005940 -.001799
	O3A .104213 .261526 .576927 .008314 .022677 .020132 .000318 .003881 .013539
	O1B .373637 .836677 .134863 .006829 .009743 .009696 .000180 .003122 -.000181
	O2B .628726 .987748 .372520 .014526 .011821 .021272 -.006052 .010539 -.007734
	O3B .604810 .709253 .481418 .007234 .020666 .012855 .000537 .003072 .007765
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 180 min
	_database_code_amcsd 0003968
	9.7104 8.9417 5.2476 90 108.479 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255249 .016692 .227866 .1747 .009799 .011062 .006727 .000315 .000542 .001828
	FeM2A .255249 .016692 .227866 .6061 .009799 .011062 .006727 .000315 .000542 .001828
	CaM2A .255249 .016692 .227866 .0649 .009799 .011062 .006727 .000315 .000542 .001828
	MnM2A .255249 .016692 .227866 .0255 .009799 .011062 .006727 .000315 .000542 .001828
	NaM2A .255249 .016692 .227866 .0030 .009799 .011062 .006727 .000315 .000542 .001828
	CaM2B .254329 .048960 .250055 .1258 .011687
	MgM1 .250422 .654596 .231771 .7422 .007884 .007029 .007589 .000109 .002520 .000387
	Fe2+M1 .250422 .654596 .231771 .2294 .007884 .007029 .007589 .000109 .002520 .000387
	Fe3+M1 .250422 .654596 .231771 .0151 .007884 .007029 .007589 .000109 .002520 .000387
	TiM1 .250422 .654596 .231771 .0100 .007884 .007029 .007589 .000109 .002520 .000387
	MnM1 .250422 .654596 .231771 .0033 .007884 .007029 .007589 .000109 .002520 .000387
	SiA .042746 .340562 .276437 .005960 .006456 .009956 -.000531 .003367 -.000616
	SiB .549357 .837462 .238645 .9840 .006297 .006404 .007609 -.001043 .002785 -.000919
	AlB .549357 .837462 .238645 .0160 .006297 .006404 .007609 -.001043 .002785 -.000919
	O1A .867667 .338266 .168693 .006293 .009690 .009530 .000169 .002598 -.000121
	O2A .121643 .499462 .332212 .012349 .008383 .013377 -.003436 .005939 -.001524
	O3A .104209 .261339 .576959 .008991 .022984 .020842 .000175 .004324 .014267
	O1B .373565 .836737 .134946 .006686 .010016 .009752 .000308 .002934 -.000155
	O2B .628868 .987549 .372735 .014488 .012129 .020540 -.006129 .009888 -.007374
	O3B .604797 .709114 .480957 .007608 .020099 .013260 .000545 .003315 .007769
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 300 min
	_database_code_amcsd 0003969
	9.7120 8.9434 5.2492 90 108.479 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255246 .016737 .227822 .1764 .009655 .010884 .006616 .000504 .000551 .001822
	FeM2A .255246 .016737 .227822 .6041 .009655 .010884 .006616 .000504 .000551 .001822
	CaM2A .255246 .016737 .227822 .0648 .009655 .010884 .006616 .000504 .000551 .001822
	MnM2A .255246 .016737 .227822 .0255 .009655 .010884 .006616 .000504 .000551 .001822
	NaM2A .255246 .016737 .227822 .0030 .009655 .010884 .006616 .000504 .000551 .001822
	CaM2B .254252 .048788 .249332 .1261 .012530
	MgM1 .250400 .654595 .231763 .7409 .007802 .006714 .007586 .000116 .002519 .000437
	Fe2+M1 .250400 .654595 .231763 .2307 .007802 .006714 .007586 .000116 .002519 .000437
	Fe3+M1 .250400 .654595 .231763 .0150 .007802 .006714 .007586 .000116 .002519 .000437
	TiM1 .250400 .654595 .231763 .0100 .007802 .006714 .007586 .000116 .002519 .000437
	MnM1 .250400 .654595 .231763 .0034 .007802 .006714 .007586 .000116 .002519 .000437
	SiA .042799 .340555 .276478 .005848 .006358 .009848 -.000585 .003459 -.000675
	SiB .549339 .837435 .238611 .9840 .006265 .006257 .007571 -.001127 .002834 -.001079
	AlB .549339 .837435 .238611 .0160 .006265 .006257 .007571 -.001127 .002834 -.001079
	O1A .867640 .338338 .168987 .006492 .009428 .009489 .000501 .002779 .000099
	O2A .121609 .499437 .332027 .012699 .008401 .013336 -.003375 .006551 -.001534
	O3A .104203 .261567 .577308 .008604 .022278 .020530 .000670 .003972 .013345
	O1B .373585 .836742 .135055 .006845 .009799 .009685 .000519 .003137 -.000020
	O2B .628848 .987704 .372461 .014272 .011683 .021332 -.005924 .010477 -.007316
	O3B .604845 .709141 .481014 .007354 .020400 .013417 .000560 .003278 .007870
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 600 min
	_database_code_amcsd 0003970
	9.7132 8.9469 5.2500 90 108.484 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255246 .016629 .227672 .1750 .009791 .010907 .006719 .000379 .000628 .001970
	FeM2A .255246 .016629 .227672 .6051 .009791 .010907 .006719 .000379 .000628 .001970
	CaM2A .255246 .016629 .227672 .0599 .009791 .010907 .006719 .000379 .000628 .001970
	MnM2A .255246 .016629 .227672 .0255 .009791 .010907 .006719 .000379 .000628 .001970
	NaM2A .255246 .016629 .227672 .0030 .009791 .010907 .006719 .000379 .000628 .001970
	CaM2B .254291 .048103 .250414 .1314 .012696
	MgM1 .250428 .654582 .231734 .7435 .007591 .006704 .007556 .000036 .002498 .000301
	Fe2+M1 .250428 .654582 .231734 .2283 .007591 .006704 .007556 .000036 .002498 .000301
	Fe3+M1 .250428 .654582 .231734 .0148 .007591 .006704 .007556 .000036 .002498 .000301
	TiM1 .250428 .654582 .231734 .0101 .007591 .006704 .007556 .000036 .002498 .000301
	MnM1 .250428 .654582 .231734 .0033 .007591 .006704 .007556 .000036 .002498 .000301
	SiA .042757 .340551 .276543 .005864 .006267 .010062 -.000568 .003261 -.000721
	SiB .549410 .837400 .238606 .9840 .006155 .006282 .007724 -.001111 .002557 -.000977
	AlB .549410 .837400 .238606 .0160 .006155 .006282 .007724 -.001111 .002557 -.000977
	O1A .867749 .338298 .168910 .006141 .009499 .009864 .000130 .002477 -.000191
	O2A .121573 .499395 .331973 .012475 .008450 .013546 -.003280 .006044 -.001391
	O3A .104248 .261293 .576855 .007737 .022722 .021223 .000510 .004022 .013731
	O1B .373811 .836743 .134997 .006923 .009367 .010093 .000346 .002885 .000057
	O2B .628683 .987534 .372746 .014223 .011263 .021445 -.005741 .009830 -.007605
	O3B .604712 .709018 .481196 .007526 .019375 .013240 .000665 .003244 .007552
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 700 C for t = 1000 min
	_database_code_amcsd 0003971
	9.7096 8.9421 5.2464 90 108.476 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255246 .016535 .227706 .1769 .009881 .010860 .006728 .000389 .000657 .001834
	FeM2A .255246 .016535 .227706 .6035 .009881 .010860 .006728 .000389 .000657 .001834
	CaM2A .255246 .016535 .227706 .0616 .009881 .010860 .006728 .000389 .000657 .001834
	MnM2A .255246 .016535 .227706 .0256 .009881 .010860 .006728 .000389 .000657 .001834
	NaM2A .255246 .016535 .227706 .0030 .009881 .010860 .006728 .000389 .000657 .001834
	CaM2B .254276 .048296 .248469 .1294 .011217
	MgM1 .250406 .654596 .231746 .7402 .007746 .006860 .007583 .000090 .002480 .000311
	Fe2+M1 .250406 .654596 .231746 .2314 .007746 .006860 .007583 .000090 .002480 .000311
	Fe3+M1 .250406 .654596 .231746 .0150 .007746 .006860 .007583 .000090 .002480 .000311
	TiM1 .250406 .654596 .231746 .0100 .007746 .006860 .007583 .000090 .002480 .000311
	MnM1 .250406 .654596 .231746 .0034 .007746 .006860 .007583 .000090 .002480 .000311
	SiA .042802 .340553 .276509 .005734 .006484 .009946 -.000551 .003330 -.000624
	SiB .549416 .837410 .238584 .9840 .006182 .006322 .007584 -.001129 .002679 -.000970
	AlB .549416 .837410 .238584 .0160 .006182 .006322 .007584 -.001129 .002679 -.000970
	O1A .867648 .338300 .168847 .006029 .009377 .009442 .000334 .002463 .000063
	O2A .121596 .499616 .332059 .012632 .008385 .013071 -.003162 .006160 -.001322
	O3A .104169 .261434 .576720 .008638 .023313 .020832 .000541 .004206 .014241
	O1B .373639 .836709 .134962 .006738 .009749 .009928 .000549 .003030 -.000112
	O2B .628751 .987649 .372776 .014377 .011532 .021460 -.006043 .010293 -.007732
	O3B .604701 .709058 .481019 .007732 .019716 .013241 .000584 .003665 .007698
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 800 C for t = 1.5 min
	_database_code_amcsd 0003972
	9.7069 8.9427 5.2470 90 108.458 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255357 .016119 .227250 .1816 .009651 .009621 .005785 .000100 .000487 .002122
	FeM2A .255357 .016119 .227250 .5984 .009651 .009621 .005785 .000100 .000487 .002122
	CaM2A .255357 .016119 .227250 .0212 .009651 .009621 .005785 .000100 .000487 .002122
	MnM2A .255357 .016119 .227250 .0254 .009651 .009621 .005785 .000100 .000487 .002122
	NaM2A .255357 .016119 .227250 .0030 .009651 .009621 .005785 .000100 .000487 .002122
	CaM2B .253789 .045020 .247902 .1703 .013910
	MgM1 .250411 .654514 .231656 .7374 .008006 .006593 .007304 .000143 .002573 .000412
	Fe2+M1 .250411 .654514 .231656 .2344 .008006 .006593 .007304 .000143 .002573 .000412
	Fe3+M1 .250411 .654514 .231656 .0146 .008006 .006593 .007304 .000143 .002573 .000412
	TiM1 .250411 .654514 .231656 .0101 .008006 .006593 .007304 .000143 .002573 .000412
	MnM1 .250411 .654514 .231656 .0034 .008006 .006593 .007304 .000143 .002573 .000412
	SiA .042720 .340577 .276584 .005822 .006021 .009676 -.000530 .003251 -.000553
	SiB .549353 .837462 .238594 .9840 .006230 .006036 .007511 -.001044 .002723 -.000962
	AlB .549353 .837462 .238594 .0160 .006230 .006036 .007511 -.001044 .002723 -.000962
	O1A .867621 .338277 .168936 .006500 .009321 .009317 .000444 .002711 -.000098
	O2A .121657 .499355 .331851 .012517 .008507 .012971 -.003232 .006001 -.001615
	O3A .104283 .261634 .577003 .009026 .021681 .020183 .000826 .004325 .013801
	O1B .373618 .836831 .134932 .007035 .010037 .009367 .000562 .003075 -.000015
	O2B .628960 .987386 .372728 .014403 .012008 .020921 -.005888 .010055 -.007763
	O3B .604900 .709593 .481671 .008141 .019371 .012865 .000731 .003453 .007678
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 800 C for t = 3.5 min
	_database_code_amcsd 0003973
	9.7088 8.9429 5.2473 90 108.471 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255280 .017044 .227912 .1833 .009987 .011863 .006816 .000528 .000698 .001816
	FeM2A .255280 .017044 .227912 .5972 .009987 .011863 .006816 .000528 .000698 .001816
	CaM2A .255280 .017044 .227912 .0863 .009987 .011863 .006816 .000528 .000698 .001816
	MnM2A .255280 .017044 .227912 .0255 .009987 .011863 .006816 .000528 .000698 .001816
	NaM2A .255280 .017044 .227912 .0029 .009987 .011863 .006816 .000528 .000698 .001816
	CaM2B .254272 .050619 .252196 .1047 .011567
	MgM1 .250410 .654589 .231630 .7330 .007829 .007050 .007552 .000137 .002525 .000420
	Fe2+M1 .250410 .654589 .231630 .2385 .007829 .007050 .007552 .000137 .002525 .000420
	Fe3+M1 .250410 .654589 .231630 .0150 .007829 .007050 .007552 .000137 .002525 .000420
	TiM1 .250410 .654589 .231630 .0100 .007829 .007050 .007552 .000137 .002525 .000420
	MnM1 .250410 .654589 .231630 .0035 .007829 .007050 .007552 .000137 .002525 .000420
	SiA .042771 .340530 .276582 .005983 .006446 .009869 -.000556 .003440 -.000599
	SiB .549408 .837444 .238616 .9840 .006267 .006385 .007583 -.001024 .002807 -.000935
	AlB .549408 .837444 .238616 .0160 .006267 .006385 .007583 -.001024 .002807 -.000935
	O1A .867629 .338328 .169180 .006583 .009559 .009629 .000355 .002822 -.000282
	O2A .121642 .499443 .331902 .012494 .008765 .013243 -.003542 .006115 -.001064
	O3A .104192 .261785 .577541 .008298 .022988 .021030 .000732 .004276 .014241
	O1B .373700 .836787 .135255 .006841 .009781 .010019 .000436 .003251 -.000149
	O2B .628891 .987560 .372624 .014588 .012100 .020939 -.006153 .010110 -.007526
	O3B .604855 .709016 .480985 .007579 .020621 .012796 .000658 .003367 .008005
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 800 C for t = 6 min
	_database_code_amcsd 0003974
	9.7094 8.9457 5.2478 90 108.468 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255312 .016641 .227667 .1854 .009904 .011010 .006618 .000329 .000592 .001985
	FeM2A .255312 .016641 .227667 .5952 .009904 .011010 .006618 .000329 .000592 .001985
	CaM2A .255312 .016641 .227667 .0630 .009904 .011010 .006618 .000329 .000592 .001985
	MnM2A .255312 .016641 .227667 .0256 .009904 .011010 .006618 .000329 .000592 .001985
	NaM2A .255312 .016641 .227667 .0029 .009904 .011010 .006618 .000329 .000592 .001985
	CaM2B .253923 .048016 .249295 .1279 .011915
	MgM1 .250425 .654603 .231579 .7296 .007825 .006789 .007520 .000168 .002565 .000405
	Fe2+M1 .250425 .654603 .231579 .2418 .007825 .006789 .007520 .000168 .002565 .000405
	Fe3+M1 .250425 .654603 .231579 .0150 .007825 .006789 .007520 .000168 .002565 .000405
	TiM1 .250425 .654603 .231579 .0100 .007825 .006789 .007520 .000168 .002565 .000405
	MnM1 .250425 .654603 .231579 .0036 .007825 .006789 .007520 .000168 .002565 .000405
	SiA .042758 .340573 .276767 .005906 .006228 .010062 -.000616 .003522 -.000601
	SiB .549370 .837427 .238628 .9840 .006201 .006264 .007536 -.000958 .002797 -.000938
	AlB .549370 .837427 .238628 .0160 .006201 .006264 .007536 -.000958 .002797 -.000938
	O1A .867617 .338425 .169183 .006569 .009391 .009453 .000264 .002723 -.000229
	O2A .121639 .499361 .331979 .012925 .008422 .013534 -.003299 .006200 -.001284
	O3A .104130 .261683 .577197 .008475 .022989 .020463 .000556 .004295 .014033
	O1B .373589 .836780 .134829 .006558 .010320 .009512 .000345 .002769 -.000050
	O2B .628991 .987392 .372964 .014473 .011796 .021076 -.006279 .009897 -.007631
	O3B .604643 .709219 .480969 .007712 .020131 .012885 .000563 .003560 .007748
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 800 C for t = 10 min
	_database_code_amcsd 0003975
	9.7113 8.9455 5.2504 90 108.478 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255273 .016803 .227659 .1940 .009749 .011409 .006594 .000368 .000639 .001878
	FeM2A .255273 .016803 .227659 .5868 .009749 .011409 .006594 .000368 .000639 .001878
	CaM2A .255273 .016803 .227659 .0691 .009749 .011409 .006594 .000368 .000639 .001878
	MnM2A .255273 .016803 .227659 .0252 .009749 .011409 .006594 .000368 .000639 .001878
	NaM2A .255273 .016803 .227659 .0030 .009749 .011409 .006594 .000368 .000639 .001878
	CaM2B .254427 .049023 .251648 .1218 .013163
	MgM1 .250421 .654547 .231553 .7236 .007633 .007059 .007765 .000153 .002499 .000409
	Fe2+M1 .250421 .654547 .231553 .2478 .007633 .007059 .007765 .000153 .002499 .000409
	Fe3+M1 .250421 .654547 .231553 .0149 .007633 .007059 .007765 .000153 .002499 .000409
	TiM1 .250421 .654547 .231553 .0100 .007633 .007059 .007765 .000153 .002499 .000409
	MnM1 .250421 .654547 .231553 .0037 .007633 .007059 .007765 .000153 .002499 .000409
	SiA .042728 .340529 .276842 .005722 .006601 .010163 -.000514 .003451 -.000669
	SiB .549408 .837441 .238590 .9840 .006185 .006540 .007807 -.001055 .002770 -.000937
	AlB .549408 .837441 .238590 .0160 .006185 .006540 .007807 -.001055 .002770 -.000937
	O1A .867691 .338397 .168973 .006260 .010069 .009779 .000096 .002806 -.000037
	O2A .121696 .499345 .331982 .012183 .008837 .013414 -.003333 .005964 -.001160
	O3A .104148 .261970 .577441 .008445 .021896 .020595 .000713 .004436 .013716
	O1B .373681 .836801 .134681 .006936 .010533 .009855 .000665 .003311 .000131
	O2B .629029 .987404 .373158 .014233 .012389 .021237 -.006056 .010025 -.007529
	O3B .604749 .709205 .481128 .007195 .020652 .013052 .000171 .003281 .007756
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.35, annealed at T = 800 C for t = 18 min
	_database_code_amcsd 0003976
	9.7134 8.9482 5.2485 90 108.463 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255318 .016718 .227655 .1967 .010215 .011390 .007019 .000503 .000847 .001955
	FeM2A .255318 .016718 .227655 .5843 .010215 .011390 .007019 .000503 .000847 .001955
	CaM2A .255318 .016718 .227655 .0687 .010215 .011390 .007019 .000503 .000847 .001955
	MnM2A .255318 .016718 .227655 .0253 .010215 .011390 .007019 .000503 .000847 .001955
	NaM2A .255318 .016718 .227655 .0029 .010215 .011390 .007019 .000503 .000847 .001955
	CaM2B .254205 .048504 .249535 .1221 .012509
	MgM1 .250432 .654512 .231510 .7194 .008103 .007041 .007952 .000132 .002797 .000337
	Fe2+M1 .250432 .654512 .231510 .2518 .008103 .007041 .007952 .000132 .002797 .000337
	Fe3+M1 .250432 .654512 .231510 .0149 .008103 .007041 .007952 .000132 .002797 .000337
	TiM1 .250432 .654512 .231510 .0100 .008103 .007041 .007952 .000132 .002797 .000337
	MnM1 .250432 .654512 .231510 .0038 .008103 .007041 .007952 .000132 .002797 .000337
	SiA .042812 .340504 .276914 .006148 .006390 .010133 -.000593 .003617 -.000705
	SiB .549439 .837435 .238634 .9840 .006511 .006434 .007668 -.001058 .002949 -.000937
	AlB .549439 .837435 .238634 .0160 .006511 .006434 .007668 -.001058 .002949 -.000937
	O1A .867736 .338408 .169294 .006634 .009789 .009514 .000122 .002695 -.000193
	O2A .121657 .499294 .331931 .012565 .008626 .013337 -.003507 .005779 -.001453
	O3A .104055 .262089 .577934 .008809 .022918 .021238 .000864 .004840 .013806
	O1B .373798 .836847 .135065 .007306 .010080 .009768 .000424 .003204 .000065
	O2B .628907 .987307 .373193 .015064 .012254 .021388 -.006425 .010378 -.007748
	O3B .604801 .708909 .480541 .008113 .021057 .012654 .000679 .003626 .007938
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 800 C for t = 60 min
	_database_code_amcsd 0003977
	9.7075 8.9444 5.2461 90 108.485 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255404 .016822 .227525 .1994 .010191 .011673 .007229 .000561 .000695 .001940
	FeM2A .255404 .016822 .227525 .5817 .010191 .011673 .007229 .000561 .000695 .001940
	CaM2A .255404 .016822 .227525 .0870 .010191 .011673 .007229 .000561 .000695 .001940
	MnM2A .255404 .016822 .227525 .0249 .010191 .011673 .007229 .000561 .000695 .001940
	NaM2A .255404 .016822 .227525 .0030 .010191 .011673 .007229 .000561 .000695 .001940
	CaM2B .254217 .049436 .249829 .1039 .010248
	MgM1 .250461 .654532 .231116 .7206 .007711 .007171 .007672 .000138 .002449 .000416
	Fe2+M1 .250461 .654532 .231116 .2508 .007711 .007171 .007672 .000138 .002449 .000416
	Fe3+M1 .250461 .654532 .231116 .0148 .007711 .007171 .007672 .000138 .002449 .000416
	TiM1 .250461 .654532 .231116 .0101 .007711 .007171 .007672 .000138 .002449 .000416
	MnM1 .250461 .654532 .231116 .0037 .007711 .007171 .007672 .000138 .002449 .000416
	SiA .042818 .340477 .277474 .006000 .006455 .009961 -.000582 .003340 -.000670
	SiB .549609 .837378 .238426 .9840 .006197 .006376 .007886 -.001021 .002750 -.000978
	AlB .549609 .837378 .238426 .0160 .006197 .006376 .007886 -.001021 .002750 -.000978
	O1A .867503 .338360 .169860 .006708 .009564 .009657 .000132 .002669 -.000012
	O2A .121842 .499339 .331473 .012862 .008471 .012819 -.003394 .006258 -.001528
	O3A .103949 .262512 .579004 .008784 .022109 .019553 .000791 .003945 .012611
	O1B .373643 .836806 .134674 .006869 .010265 .010029 .000351 .003221 -.000087
	O2B .629215 .987161 .373353 .014737 .011807 .021016 -.006304 .010286 -.007607
	O3B .604789 .708736 .480196 .008019 .019792 .013110 .000232 .002839 .007491
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, untreated
	_database_code_amcsd 0003978
	9.7060 8.9400 5.2460 90 108.504 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255365 .016605 .227587 .1420 .009927 .010615 .006656 .000291 .000759 .001979
	FeM2A .255365 .016605 .227587 .6379 .009927 .010615 .006656 .000291 .000759 .001979
	CaM2A .255365 .016605 .227587 .0542 .009927 .010615 .006656 .000291 .000759 .001979
	MnM2A .255365 .016605 .227587 .0260 .009927 .010615 .006656 .000291 .000759 .001979
	NaM2A .255365 .016605 .227587 .0030 .009927 .010615 .006656 .000291 .000759 .001979
	CaM2B .253447 .046314 .249257 .1369 .013235
	MgM1 .250414 .654659 .231720 .7772 .008103 .006947 .007671 .000188 .002591 .000414
	Fe2+M1 .250414 .654659 .231720 .1952 .008103 .006947 .007671 .000188 .002591 .000414
	Fe3+M1 .250414 .654659 .231720 .0148 .008103 .006947 .007671 .000188 .002591 .000414
	TiM1 .250414 .654659 .231720 .0101 .008103 .006947 .007671 .000188 .002591 .000414
	MnM1 .250414 .654659 .231720 .0027 .008103 .006947 .007671 .000188 .002591 .000414
	SiA .042736 .340543 .276460 .006109 .006416 .009758 -.000504 .003425 -.000622
	SiB .549431 .837380 .238556 .9840 .006400 .006352 .007687 -.001007 .002819 -.000864
	AlB .549431 .837380 .238556 .0160 .006400 .006352 .007687 -.001007 .002819 -.000864
	O1A .867507 .338111 .168478 .006619 .009221 .009472 .000054 .002614 -.000108
	O2A .121595 .499631 .331923 .012645 .008615 .013097 -.003420 .006371 -.001585
	O3A .104176 .261212 .577016 .008638 .021678 .020693 .000553 .004276 .013372
	O1B .373604 .836508 .134486 .007077 .009518 .009848 .000319 .002960 -.000066
	O2B .628803 .987734 .372269 .014541 .011853 .020018 -.005924 .010184 -.007125
	O3B .604947 .709248 .481184 .007931 .019193 .013421 .000503 .003081 .007875
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 80 min
	_database_code_amcsd 0003979
	9.7096 8.9413 5.2473 90 108.515 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255193 .016975 .228494 .1463 .009691 .010873 .007715 .000238 .000459 .001766
	FeM2A .255193 .016975 .228494 .6341 .009691 .010873 .007715 .000238 .000459 .001766
	CaM2A .255193 .016975 .228494 .0678 .009691 .010873 .007715 .000238 .000459 .001766
	MnM2A .255193 .016975 .228494 .0262 .009691 .010873 .007715 .000238 .000459 .001766
	NaM2A .255193 .016975 .228494 .0029 .009691 .010873 .007715 .000238 .000459 .001766
	CaM2B .253245 .048697 .251796 .1227 .014538
	MgM1 .250465 .654681 .232393 .7688 .007855 .006868 .008766 .000158 .002628 .000406
	Fe2+M1 .250465 .654681 .232393 .2033 .007855 .006868 .008766 .000158 .002628 .000406
	Fe3+M1 .250465 .654681 .232393 .0150 .007855 .006868 .008766 .000158 .002628 .000406
	TiM1 .250465 .654681 .232393 .0100 .007855 .006868 .008766 .000158 .002628 .000406
	MnM1 .250465 .654681 .232393 .0029 .007855 .006868 .008766 .000158 .002628 .000406
	SiA .042761 .340479 .275771 .006089 .005952 .010868 -.000540 .003430 -.000516
	SiB .549368 .837519 .239149 .9840 .006394 .006074 .008631 -.000990 .002783 -.000936
	AlB .549368 .837519 .239149 .0160 .006394 .006074 .008631 -.000990 .002783 -.000936
	O1A .867619 .338101 .167933 .006764 .008768 .010073 .000290 .002410 -.000013
	O2A .121747 .499321 .332704 .012277 .007897 .014848 -.002828 .006316 -.001874
	O3A .104237 .261289 .576788 .009362 .023568 .021167 .000692 .004426 .014420
	O1B .373586 .836583 .135285 .006691 .009531 .010922 .000396 .003193 .000256
	O2B .628873 .987860 .372183 .014925 .011537 .021583 -.005813 .010988 -.007733
	O3B .604905 .709339 .480990 .008298 .020959 .014406 .000981 .003967 .008500
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 120 min
	_database_code_amcsd 0003980
	9.7084 8.9414 5.2476 90 108.505 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255253 .016692 .228060 .1484 .009742 .010386 .007324 .000120 .000639 .001842
	FeM2A .255253 .016692 .228060 .6316 .009742 .010386 .007324 .000120 .000639 .001842
	CaM2A .255253 .016692 .228060 .0475 .009742 .010386 .007324 .000120 .000639 .001842
	MnM2A .255253 .016692 .228060 .0261 .009742 .010386 .007324 .000120 .000639 .001842
	NaM2A .255253 .016692 .228060 .0029 .009742 .010386 .007324 .000120 .000639 .001842
	CaM2B .253402 .046406 .250863 .1434 .015519
	MgM1 .250474 .654678 .232178 .7679 .008028 .006644 .008651 .000138 .002775 .000406
	Fe2+M1 .250474 .654678 .232178 .2043 .008028 .006644 .008651 .000138 .002775 .000406
	Fe3+M1 .250474 .654678 .232178 .0149 .008028 .006644 .008651 .000138 .002775 .000406
	TiM1 .250474 .654678 .232178 .0100 .008028 .006644 .008651 .000138 .002775 .000406
	MnM1 .250474 .654678 .232178 .0029 .008028 .006644 .008651 .000138 .002775 .000406
	SiA .042739 .340483 .275944 .006271 .005976 .010506 -.000467 .003419 -.000606
	SiB .549405 .837506 .239038 .9840 .006532 .005922 .008511 -.001018 .002879 -.000960
	AlB .549405 .837506 .239038 .0160 .006532 .005922 .008511 -.001018 .002879 -.000960
	O1A .867623 .338072 .168394 .006945 .008870 .010343 .000552 .002561 .000061
	O2A .121796 .499456 .332257 .012463 .007706 .015098 -.003095 .006431 -.001860
	O3A .104273 .261443 .577367 .009529 .023048 .021750 .000771 .004716 .014694
	O1B .373641 .836556 .135162 .006955 .009545 .010658 .000662 .003365 .000231
	O2B .628838 .987875 .372137 .014697 .011472 .021551 -.005798 .010660 -.007682
	O3B .604938 .709177 .481186 .008496 .020463 .014511 .000443 .004128 .007844
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 240 min
	_database_code_amcsd 0003981
	9.7086 8.9421 5.2473 90 108.503 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255305 .016890 .227899 .1537 .009718 .011363 .006924 .000380 .000717 .001736
	FeM2A .255305 .016890 .227899 .6267 .009718 .011363 .006924 .000380 .000717 .001736
	CaM2A .255305 .016890 .227899 .0774 .009718 .011363 .006924 .000380 .000717 .001736
	MnM2A .255305 .016890 .227899 .0258 .009718 .011363 .006924 .000380 .000717 .001736
	NaM2A .255305 .016890 .227899 .0030 .009718 .011363 .006924 .000380 .000717 .001736
	CaM2B .254254 .050202 .250248 .1133 .011704
	MgM1 .250461 .654632 .231609 .7647 .007675 .007194 .007838 .000095 .002625 .000328
	Fe2+M1 .250461 .654632 .231609 .2074 .007675 .007194 .007838 .000095 .002625 .000328
	Fe3+M1 .250461 .654632 .231609 .0148 .007675 .007194 .007838 .000095 .002625 .000328
	TiM1 .250461 .654632 .231609 .0101 .007675 .007194 .007838 .000095 .002625 .000328
	MnM1 .250461 .654632 .231609 .0029 .007675 .007194 .007838 .000095 .002625 .000328
	SiA .042718 .340542 .276645 .005841 .006635 .009774 -.000508 .003413 -.000646
	SiB .549430 .837459 .238439 .9840 .006168 .006558 .007756 -.000985 .002808 -.000876
	AlB .549430 .837459 .238439 .0160 .006168 .006558 .007756 -.000985 .002808 -.000876
	O1A .867550 .338125 .168674 .006517 .009713 .009685 .000315 .002815 -.000242
	O2A .121644 .499373 .331955 .012152 .008849 .013529 -.003174 .006261 -.001413
	O3A .104077 .261626 .577597 .008705 .022937 .020056 .000704 .004239 .013726
	O1B .373622 .836601 .134632 .006664 .010314 .009731 .000462 .003133 -.000133
	O2B .628993 .987466 .372854 .013985 .011766 .021253 -.005932 .009845 -.007153
	O3B .604874 .709021 .480717 .007487 .020526 .013116 .000661 .003153 .007827
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 360 min
	_database_code_amcsd 0003982
	9.7074 8.9415 5.2468 90 108.485 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255270 .016773 .227820 .1570 .009797 .011102 .006885 .000386 .000679 .001637
	FeM2A .255270 .016773 .227820 .6232 .009797 .011102 .006885 .000386 .000679 .001637
	CaM2A .255270 .016773 .227820 .0666 .009797 .011102 .006885 .000386 .000679 .001637
	MnM2A .255270 .016773 .227820 .0258 .009797 .011102 .006885 .000386 .000679 .001637
	NaM2A .255270 .016773 .227820 .0030 .009797 .011102 .006885 .000386 .000679 .001637
	CaM2B .254799 .049106 .249403 .1244 .013358
	MgM1 .250463 .654616 .231631 .7611 .007924 .007282 .007881 .000176 .002620 .000379
	Fe2+M1 .250463 .654616 .231631 .2110 .007924 .007282 .007881 .000176 .002620 .000379
	Fe3+M1 .250463 .654616 .231631 .0148 .007924 .007282 .007881 .000176 .002620 .000379
	TiM1 .250463 .654616 .231631 .0101 .007924 .007282 .007881 .000176 .002620 .000379
	MnM1 .250463 .654616 .231631 .0030 .007924 .007282 .007881 .000176 .002620 .000379
	SiA .042706 .340582 .276597 .005926 .006632 .009990 -.000471 .003338 -.000611
	SiB .549432 .837431 .238503 .9840 .006322 .006627 .007951 -.000971 .002810 -.000869
	AlB .549432 .837431 .238503 .0160 .006322 .006627 .007951 -.000971 .002810 -.000869
	O1A .867574 .338142 .168858 .006678 .009500 .009793 .000234 .002697 -.000181
	O2A .121712 .499262 .332009 .012948 .008632 .013529 -.003046 .006316 -.001521
	O3A .104119 .261495 .577342 .008467 .022841 .021137 .000755 .004297 .013864
	O1B .373585 .836679 .134626 .007116 .009783 .010135 .000401 .003060 -.000094
	O2B .628958 .987497 .372795 .014674 .011892 .020790 -.005774 .010092 -.007110
	O3B .604788 .709179 .480857 .007988 .020068 .013646 .001061 .003756 .007464
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 840 min
	_database_code_amcsd 0003983
	9.7083 8.9419 5.2481 90 108.496 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255350 .016998 .227835 .1638 .010076 .011664 .006989 .000526 .000531 .001827
	FeM2A .255350 .016998 .227835 .6168 .010076 .011664 .006989 .000526 .000531 .001827
	CaM2A .255350 .016998 .227835 .0818 .010076 .011664 .006989 .000526 .000531 .001827
	MnM2A .255350 .016998 .227835 .0256 .010076 .011664 .006989 .000526 .000531 .001827
	NaM2A .255350 .016998 .227835 .0030 .010076 .011664 .006989 .000526 .000531 .001827
	CaM2B .254006 .049964 .250523 .1090 .012862
	MgM1 .250458 .654636 .231614 .7555 .008114 .007295 .007803 .000129 .002486 .000376
	Fe2+M1 .250458 .654636 .231614 .2165 .008114 .007295 .007803 .000129 .002486 .000376
	Fe3+M1 .250458 .654636 .231614 .0147 .008114 .007295 .007803 .000129 .002486 .000376
	TiM1 .250458 .654636 .231614 .0101 .008114 .007295 .007803 .000129 .002486 .000376
	MnM1 .250458 .654636 .231614 .0031 .008114 .007295 .007803 .000129 .002486 .000376
	SiA .042773 .340485 .276644 .006343 .006583 .010066 -.000480 .003513 -.000497
	SiB .549476 .837426 .238619 .9840 .006577 .006701 .007699 -.000973 .002872 -.000866
	AlB .549476 .837426 .238619 .0160 .006577 .006701 .007699 -.000973 .002872 -.000866
	O1A .867700 .338268 .168992 .007240 .009438 .009464 .000348 .002843 .000026
	O2A .121729 .499420 .332068 .012667 .008788 .013187 -.003050 .005932 -.001450
	O3A .104064 .261685 .577778 .008956 .022733 .020495 .000523 .004326 .013274
	O1B .373752 .836774 .134780 .007120 .009922 .010009 .000104 .003076 .000034
	O2B .629048 .987627 .372865 .014394 .012164 .020520 -.005910 .009837 -.007271
	O3B .604800 .709020 .480661 .008604 .020696 .012748 .000691 .003710 .007679
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 1680 min
	_database_code_amcsd 0003984
	9.7050 8.9419 5.2454 90 108.485 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255294 .016983 .227843 .1633 .009888 .011808 .007204 .000392 .000669 .001650
	FeM2A .255294 .016983 .227843 .6173 .009888 .011808 .007204 .000392 .000669 .001650
	CaM2A .255294 .016983 .227843 .0798 .009888 .011808 .007204 .000392 .000669 .001650
	MnM2A .255294 .016983 .227843 .0258 .009888 .011808 .007204 .000392 .000669 .001650
	NaM2A .255294 .016983 .227843 .0029 .009888 .011808 .007204 .000392 .000669 .001650
	CaM2B .254803 .049987 .251073 .1109 .012528
	MgM1 .250486 .654615 .231632 .7537 .007833 .007442 .007987 .000070 .002677 .000376
	Fe2+M1 .250486 .654615 .231632 .2182 .007833 .007442 .007987 .000070 .002677 .000376
	Fe3+M1 .250486 .654615 .231632 .0149 .007833 .007442 .007987 .000070 .002677 .000376
	TiM1 .250486 .654615 .231632 .0100 .007833 .007442 .007987 .000070 .002677 .000376
	MnM1 .250486 .654615 .231632 .0031 .007833 .007442 .007987 .000070 .002677 .000376
	SiA .042737 .340507 .276730 .006024 .006895 .010060 -.000566 .003481 -.000597
	SiB .549473 .837436 .238531 .9840 .006275 .006962 .007882 -.001109 .002928 -.000931
	AlB .549473 .837436 .238531 .0160 .006275 .006962 .007882 -.001109 .002928 -.000931
	O1A .867461 .338201 .168841 .006385 .009842 .009864 .000404 .002548 -.000102
	O2A .121810 .499265 .332051 .012511 .009078 .013444 -.003188 .006268 -.001488
	O3A .104200 .261853 .578004 .008954 .023127 .020415 .000895 .004816 .013771
	O1B .373691 .836795 .134666 .007003 .010440 .010018 .000527 .003254 -.000206
	O2B .629186 .987420 .372973 .014439 .012151 .021478 -.006047 .010388 -.007216
	O3B .604876 .709111 .480893 .008436 .020555 .013420 .000648 .003969 .007856
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 3120 min
	_database_code_amcsd 0003985
	9.7096 8.9413 5.2470 90 108.499 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255332 .016890 .227805 .1659 .010164 .011509 .007187 .000461 .000689 .001758
	FeM2A .255332 .016890 .227805 .6145 .010164 .011509 .007187 .000461 .000689 .001758
	CaM2A .255332 .016890 .227805 .0798 .010164 .011509 .007187 .000461 .000689 .001758
	MnM2A .255332 .016890 .227805 .0256 .010164 .011509 .007187 .000461 .000689 .001758
	NaM2A .255332 .016890 .227805 .0030 .010164 .011509 .007187 .000461 .000689 .001758
	CaM2B .254466 .049217 .249712 .1111 .012476
	MgM1 .250454 .654611 .231556 .7534 .008184 .007012 .007883 .000113 .002620 .000370
	Fe2+M1 .250454 .654611 .231556 .2186 .008184 .007012 .007883 .000113 .002620 .000370
	Fe3+M1 .250454 .654611 .231556 .0148 .008184 .007012 .007883 .000113 .002620 .000370
	TiM1 .250454 .654611 .231556 .0101 .008184 .007012 .007883 .000113 .002620 .000370
	MnM1 .250454 .654611 .231556 .0031 .008184 .007012 .007883 .000113 .002620 .000370
	SiA .042715 .340487 .276703 .006316 .006487 .010009 -.000608 .003648 -.000663
	SiB .549474 .837394 .238494 .9840 .006553 .006335 .007861 -.001068 .002813 -.000849
	AlB .549474 .837394 .238494 .0160 .006553 .006335 .007861 -.001068 .002813 -.000849
	O1A .867631 .338223 .168908 .007266 .009184 .009761 .000247 .003093 -.000141
	O2A .121763 .499324 .332289 .012764 .008255 .013775 -.003476 .006189 -.001537
	O3A .104158 .261651 .577691 .009004 .023037 .020501 .000727 .004152 .014218
	O1B .373622 .836789 .134527 .007039 .010057 .009897 .000543 .003130 -.000039
	O2B .628987 .987459 .373039 .014092 .011448 .021322 -.005840 .009883 -.007214
	O3B .604950 .708981 .480852 .008381 .019804 .013387 .000673 .003609 .007481
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 650 C for t = 7440 min
	_database_code_amcsd 0003986
	9.7079 8.9442 5.2463 90 108.485 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255282 .016979 .227891 .1634 .010235 .011727 .007250 .000479 .000740 .001642
	FeM2A .255282 .016979 .227891 .6171 .010235 .011727 .007250 .000479 .000740 .001642
	CaM2A .255282 .016979 .227891 .0821 .010235 .011727 .007250 .000479 .000740 .001642
	MnM2A .255282 .016979 .227891 .0257 .010235 .011727 .007250 .000479 .000740 .001642
	NaM2A .255282 .016979 .227891 .0030 .010235 .011727 .007250 .000479 .000740 .001642
	CaM2B .254589 .049760 .250257 .1087 .011886
	MgM1 .250489 .654620 .231584 .7550 .007807 .007142 .007782 .000092 .002566 .000387
	Fe2+M1 .250489 .654620 .231584 .2170 .007807 .007142 .007782 .000092 .002566 .000387
	Fe3+M1 .250489 .654620 .231584 .0148 .007807 .007142 .007782 .000092 .002566 .000387
	TiM1 .250489 .654620 .231584 .0101 .007807 .007142 .007782 .000092 .002566 .000387
	MnM1 .250489 .654620 .231584 .0031 .007807 .007142 .007782 .000092 .002566 .000387
	SiA .042729 .340477 .276749 .006018 .006584 .009977 -.000578 .003327 -.000570
	SiB .549506 .837426 .238473 .9840 .006361 .006651 .007930 -.001073 .002945 -.000870
	AlB .549506 .837426 .238473 .0160 .006361 .006651 .007930 -.001073 .002945 -.000870
	O1A .867635 .338173 .169103 .006813 .009824 .009486 .000284 .002934 -.000095
	O2A .121774 .499274 .331896 .012401 .008987 .013184 -.003211 .005978 -.001634
	O3A .104166 .261712 .578019 .008786 .022801 .020595 .000888 .004273 .013765
	O1B .373694 .836702 .134815 .006744 .010149 .010391 .0006 .003333 -.000071
	O2B .629061 .987535 .372930 .014553 .012035 .021052 -.006006 .010667 -.007435
	O3B .604928 .708950 .480703 .008435 .020421 .013397 .000597 .003743 .007760
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 9 min
	_database_code_amcsd 0003987
	9.7071 8.9425 5.2463 90 108.484 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255386 .016861 .227773 .1738 .009888 .011298 .006892 .000573 .000550 .001875
	FeM2A .255386 .016861 .227773 .6067 .009888 .011298 .006892 .000573 .000550 .001875
	CaM2A .255386 .016861 .227773 .0792 .009888 .011298 .006892 .000573 .000550 .001875
	MnM2A .255386 .016861 .227773 .0256 .009888 .011298 .006892 .000573 .000550 .001875
	NaM2A .255386 .016861 .227773 .0029 .009888 .011298 .006892 .000573 .000550 .001875
	CaM2B .253983 .049861 .249172 .1116 .011967
	MgM1 .250472 .654568 .231437 .7426 .008038 .007402 .007742 .000081 .002435 .000412
	Fe2+M1 .250472 .654568 .231437 .2291 .008038 .007402 .007742 .000081 .002435 .000412
	Fe3+M1 .250472 .654568 .231437 .0149 .008038 .007402 .007742 .000081 .002435 .000412
	TiM1 .250472 .654568 .231437 .0100 .008038 .007402 .007742 .000081 .002435 .000412
	MnM1 .250472 .654568 .231437 .0033 .008038 .007402 .007742 .000081 .002435 .000412
	SiA .042781 .340544 .276939 .006008 .006603 .009983 -.000481 .003388 -.000685
	SiB .549499 .837407 .238443 .9840 .006311 .006519 .007882 -.001010 .002816 -.000861
	AlB .549499 .837407 .238443 .0160 .006311 .006519 .007882 -.001010 .002816 -.000861
	O1A .867560 .338272 .169183 .006893 .009713 .009155 .000201 .002802 -.000276
	O2A .121725 .499367 .331784 .012955 .008593 .013594 -.003590 .006479 -.001405
	O3A .104015 .262078 .578104 .008426 .022430 .020490 .000198 .004085 .013388
	O1B .373548 .836715 .134465 .007051 .009972 .009633 .000398 .002988 -.000168
	O2B .629062 .987312 .372932 .014249 .012329 .020598 -.005805 .009906 -.007271
	O3B .604799 .708806 .480798 .007915 .019111 .013706 .000425 .003154 .007400
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 15 min
	_database_code_amcsd 0003988
	9.7100 8.9425 5.2470 90 108.495 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255352 .016884 .227763 .1766 .010160 .011325 .007292 .000549 .000861 .001776
	FeM2A .255352 .016884 .227763 .6035 .010160 .011325 .007292 .000549 .000861 .001776
	CaM2A .255352 .016884 .227763 .0854 .010160 .011325 .007292 .000549 .000861 .001776
	MnM2A .255352 .016884 .227763 .0254 .010160 .011325 .007292 .000549 .000861 .001776
	NaM2A .255352 .016884 .227763 .0030 .010160 .011325 .007292 .000549 .000861 .001776
	CaM2B .254228 .050635 .249672 .1060 .010891
	MgM1 .250485 .654544 .231401 .7427 .008019 .006922 .007716 .000121 .002658 .000391
	Fe2+M1 .250485 .654544 .231401 .2291 .008019 .006922 .007716 .000121 .002658 .000391
	Fe3+M1 .250485 .654544 .231401 .0148 .008019 .006922 .007716 .000121 .002658 .000391
	TiM1 .250485 .654544 .231401 .0101 .008019 .006922 .007716 .000121 .002658 .000391
	MnM1 .250485 .654544 .231401 .0033 .008019 .006922 .007716 .000121 .002658 .000391
	SiA .042730 .340529 .276987 .006270 .006402 .010099 -.000466 .003713 -.000652
	SiB .549506 .837414 .238500 .9840 .006515 .006273 .008035 -.000936 .002964 -.000871
	AlB .549506 .837414 .238500 .0160 .006515 .006273 .008035 -.000936 .002964 -.000871
	O1A .867569 .338344 .169231 .006948 .009497 .009704 .000215 .002950 -.000118
	O2A .121805 .499435 .331915 .013088 .008483 .013538 -.003161 .006236 -.001465
	O3A .104015 .261724 .577531 .008534 .021421 .021151 .000509 .004146 .013361
	O1B .373623 .836731 .134554 .007438 .009877 .010243 .000308 .003324 -.000143
	O2B .629058 .987268 .373140 .014229 .012135 .020847 -.005885 .009569 -.007278
	O3B .604826 .709132 .480646 .007849 .019519 .013338 .000240 .003296 .007327
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 25 min
	_database_code_amcsd 0003989
	9.7086 8.9436 5.2464 90 108.491 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255343 .017083 .227875 .1809 .009868 .011695 .007013 .000707 .000697 .001897
	FeM2A .255343 .017083 .227875 .5998 .009868 .011695 .007013 .000707 .000697 .001897
	CaM2A .255343 .017083 .227875 .0918 .009868 .011695 .007013 .000707 .000697 .001897
	MnM2A .255343 .017083 .227875 .0254 .009868 .011695 .007013 .000707 .000697 .001897
	NaM2A .255343 .017083 .227875 .0030 .009868 .011695 .007013 .000707 .000697 .001897
	CaM2B .253806 .052197 .250425 .0991 .012219
	MgM1 .250453 .654551 .231361 .7378 .008041 .007175 .007714 .000087 .002570 .000422
	Fe2+M1 .250453 .654551 .231361 .2339 .008041 .007175 .007714 .000087 .002570 .000422
	Fe3+M1 .250453 .654551 .231361 .0148 .008041 .007175 .007714 .000087 .002570 .000422
	TiM1 .250453 .654551 .231361 .0101 .008041 .007175 .007714 .000087 .002570 .000422
	MnM1 .250453 .654551 .231361 .0034 .008041 .007175 .007714 .000087 .002570 .000422
	SiA .042783 .340542 .277152 .006036 .006595 .010076 -.000511 .003321 -.000719
	SiB .549492 .837440 .238445 .9840 .006405 .006396 .007766 -.001012 .002780 -.000951
	AlB .549492 .837440 .238445 .0160 .006405 .006396 .007766 -.001012 .002780 -.000951
	O1A .867637 .338348 .169093 .006772 .009877 .009668 .000102 .002454 -.000101
	O2A .121619 .499310 .331960 .012958 .008570 .013053 -.003038 .006049 -.001390
	O3A .104192 .261874 .577904 .008636 .022006 .020389 .000708 .004432 .013121
	O1B .373669 .836715 .134376 .006945 .010397 .009739 .000434 .002994 -.000251
	O2B .629019 .987257 .373130 .014413 .012079 .020820 -.005423 .010095 -.007376
	O3B .604865 .709118 .480576 .007414 .019925 .013782 .000533 .002983 .007893
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 50 min
	_database_code_amcsd 0003990
	9.7100 8.9462 5.2480 90 108.494 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255397 .017006 .227798 .1853 .010350 .011857 .007178 .000642 .000714 .001838
	FeM2A .255397 .017006 .227798 .5953 .010350 .011857 .007178 .000642 .000714 .001838
	CaM2A .255397 .017006 .227798 .0905 .010350 .011857 .007178 .000642 .000714 .001838
	MnM2A .255397 .017006 .227798 .0254 .010350 .011857 .007178 .000642 .000714 .001838
	NaM2A .255397 .017006 .227798 .0030 .010350 .011857 .007178 .000642 .000714 .001838
	CaM2B .254139 .050652 .250382 .1005 .011767
	MgM1 .250475 .654558 .231353 .7323 .008199 .007122 .007921 .000138 .002570 .000401
	Fe2+M1 .250475 .654558 .231353 .2393 .008199 .007122 .007921 .000138 .002570 .000401
	Fe3+M1 .250475 .654558 .231353 .0149 .008199 .007122 .007921 .000138 .002570 .000401
	TiM1 .250475 .654558 .231353 .0101 .008199 .007122 .007921 .000138 .002570 .000401
	MnM1 .250475 .654558 .231353 .0035 .008199 .007122 .007921 .000138 .002570 .000401
	SiA .042771 .340522 .277198 .006160 .006592 .009959 -.000488 .003532 -.000605
	SiB .549509 .837405 .238559 .9840 .006617 .006437 .007905 -.001008 .002763 -.000890
	AlB .549509 .837405 .238559 .0160 .006617 .006437 .007905 -.001008 .002763 -.000890
	O1A .867664 .338357 .169539 .007044 .009817 .009801 .000191 .002751 -.000162
	O2A .121695 .499396 .331926 .012467 .008826 .013610 -.003155 .005867 -.001246
	O3A .103940 .261971 .578301 .008532 .022395 .020475 .000785 .004466 .013504
	O1B .373889 .836792 .134805 .007349 .010502 .009671 .000214 .002998 -.000258
	O2B .629044 .987291 .373286 .014641 .012154 .020885 -.005733 .010017 -.007235
	O3B .604797 .708908 .480566 .007590 .020180 .013441 .000519 .003159 .007791
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 100 min
	_database_code_amcsd 0003991
	9.7103 8.9444 5.2490 90 108.468 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255430 .016601 .227333 .1840 .010072 .010993 .006725 .000400 .000808 .001990
	FeM2A .255430 .016601 .227333 .5962 .010072 .010993 .006725 .000400 .000808 .001990
	CaM2A .255430 .016601 .227333 .0585 .010072 .010993 .006725 .000400 .000808 .001990
	MnM2A .255430 .016601 .227333 .0256 .010072 .010993 .006725 .000400 .000808 .001990
	NaM2A .255430 .016601 .227333 .0029 .010072 .010993 .006725 .000400 .000808 .001990
	CaM2B .254117 .047268 .248772 .1327 .014292
	MgM1 .250473 .654505 .231278 .7314 .008074 .006995 .007481 .000076 .002562 .000376
	Fe2+M1 .250473 .654505 .231278 .2402 .008074 .006995 .007481 .000076 .002562 .000376
	Fe3+M1 .250473 .654505 .231278 .0149 .008074 .006995 .007481 .000076 .002562 .000376
	TiM1 .250473 .654505 .231278 .0100 .008074 .006995 .007481 .000076 .002562 .000376
	MnM1 .250473 .654505 .231278 .0036 .008074 .006995 .007481 .000076 .002562 .000376
	SiA .042806 .340572 .277299 .006224 .006421 .009968 -.000532 .003488 -.000661
	SiB .549537 .837392 .238408 .9840 .006507 .006317 .007845 -.001050 .002804 -.000866
	AlB .549537 .837392 .238408 .0160 .006507 .006317 .007845 -.001050 .002804 -.000866
	O1A .867713 .338339 .169512 .006806 .009610 .009625 .000131 .002942 -.000050
	O2A .121601 .499343 .331794 .013119 .008838 .013213 -.003485 .006653 -.001453
	O3A .103990 .262082 .578175 .008584 .021332 .020489 .000231 .003929 .012907
	O1B .373728 .836778 .134502 .006996 .010242 .009970 .000416 .003045 -.000200
	O2B .628888 .987282 .372944 .014269 .012262 .020971 -.005886 .010061 -.007429
	O3B .604697 .709102 .480355 .008074 .018918 .013843 .000482 .003218 .007726
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	Pigeonite
	Domeneghetti M C, Zema M, Tazzoli V
	American Mineralogist 90 (2005) 1816-1823
	Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite
	Locality: Parana, Brazil
	Sample: N.13, annealed at T = 750 C for t = 250 min
	_database_code_amcsd 0003992
	9.7109 8.9437 5.2477 90 108.469 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	MgM2A .255369 .016985 .227765 .1868 .010437 .011529 .007228 .000656 .000694 .001797
	FeM2A .255369 .016985 .227765 .5939 .010437 .011529 .007228 .000656 .000694 .001797
	CaM2A .255369 .016985 .227765 .0937 .010437 .011529 .007228 .000656 .000694 .001797
	MnM2A .255369 .016985 .227765 .0254 .010437 .011529 .007228 .000656 .000694 .001797
	NaM2A .255369 .016985 .227765 .0029 .010437 .011529 .007228 .000656 .000694 .001797
	CaM2B .254379 .052024 .250193 .0973 .010276
	MgM1 .250443 .654518 .231293 .7300 .008093 .006802 .007662 .000146 .002403 .000400
	Fe2+M1 .250443 .654518 .231293 .2415 .008093 .006802 .007662 .000146 .002403 .000400
	Fe3+M1 .250443 .654518 .231293 .0148 .008093 .006802 .007662 .000146 .002403 .000400
	TiM1 .250443 .654518 .231293 .0101 .008093 .006802 .007662 .000146 .002403 .000400
	MnM1 .250443 .654518 .231293 .0036 .008093 .006802 .007662 .000146 .002403 .000400
	SiA .042780 .340531 .277224 .006318 .006352 .009809 -.000548 .003477 -.000611
	SiB .549561 .837388 .238439 .9840 .006602 .006230 .007792 -.000950 .002750 -.000881
	AlB .549561 .837388 .238439 .0160 .006602 .006230 .007792 -.000950 .002750 -.000881
	O1A .867607 .338382 .169391 .006799 .009828 .009211 .000196 .002431 -.000182
	O2A .121791 .499300 .331729 .013106 .008417 .013068 -.003348 .006254 -.001415
	O3A .104162 .262175 .578144 .009198 .022251 .020564 .000269 .004081 .013764
	O1B .373661 .836811 .134652 .007207 .009612 .010073 .000289 .003052 -.000312
	O2B .629184 .987272 .373287 .015278 .011497 .021002 -.006026 .010266 -.007419
	O3B .604825 .708772 .480497 .007975 .019475 .013004 .000305 .003367 .007564
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 100 K
	_database_code_amcsd 0004547
	5.3278 9.2225 10.2087 90 100.031 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0276 .0172 .01597 .01614 .0197 0 .00382 0
	MgM1 0 0 .5 .7408 .0063 .00543 .00495 .00922 0 .00292 0
	FeM1 0 0 .5 .2592 .0063 .00543 .00495 .00922 0 .00292 0
	MgM2 0 .33520 .5 .7393 .0072 .00423 .00967 .00774 0 .00103 0
	FeM2 0 .33520 .5 .2607 .0072 .00423 .00967 .00774 0 .00103 0
	Si .07495 .16686 .22520 .6761 .0067 .00575 .00654 .00789 .00005 .00150 .00018
	Al .07495 .16686 .22520 .3073 .0067 .00575 .00654 .00789 .00005 .00150 .00018
	O1 .33269 .22311 .16797 .0136 .0127 .0173 .0112 -.0035 .0031 -.0022
	O2 .0019 0 .16889 .0136 .0180 .0111 .0109 0 .0000 0
	O3 .13082 .16751 .39136 .0084 .0081 .0084 .0085 .00019 .00135 .0001
	O4 .13190 .5 .39874 .0086 .0083 .0107 .0069 0 .0015 0
	H .111 .5 .319 .5931 .0086
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 200 K
	_database_code_amcsd 0004548
	5.3310 9.2298 10.2217 90 100.031 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0279 .0237 .0232 .0235 .0245 0 .00481 0
	MgM1 0 0 .5 .7365 .0080 .0067 .0063 .0112 0 .0032 0
	FeM1 0 0 .5 .2635 .0080 .0067 .0063 .0112 0 .0032 0
	MgM2 0 .33520 .5 .7322 .0088 .0055 .0108 .0097 0 .00113 0
	FeM2 0 .33520 .5 .2678 .0088 .0055 .0108 .0097 0 .00113 0
	Si .07508 .16685 .22553 .6748 .0078 .00691 .0074 .0092 .00007 .00165 .00014
	Al .07508 .16685 .22553 .3067 .0078 .00691 .0074 .0092 .00007 .00165 .00014
	O1 .33154 .22433 .16831 .0158 .0148 .0204 .0129 -.0046 .0037 -.0026
	O2 .0046 0 .16928 .0160 .0217 .0124 .0130 0 -.0001 0
	O3 .13087 .16746 .39151 .0095 .0093 .0097 .0097 .0003 .0015 .0002
	O4 .13181 .5 .39884 .0099 .0094 .0113 .0091 0 .0017 0
	H .107 .5 .327 .5946 .0099
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 298 K
	_database_code_amcsd 0004549
	5.3365 9.2438 10.2331 90 100.031 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0253 .0309 .0316 .0304 .0310 0 .0059 0
	MgM1 0 0 .5 .7381 .0096 .0087 .0068 .0136 0 .0036 0
	FeM1 0 0 .5 .2619 .0096 .0087 .0068 .0136 0 .0036 0
	MgM2 0 .33517 .5 .7326 .0105 .0074 .0116 .0123 0 .0018 0
	FeM2 0 .33517 .5 .2674 .0105 .0074 .0116 .0123 0 .0018 0
	Si .07523 .16684 .22587 .6745 .0093 .00874 .00819 .0110 .00008 .00215 .00005
	Al .07523 .16684 .22587 .3066 .0093 .00874 .00819 .0110 .00008 .00215 .00005
	O1 .33016 .22599 .16870 .0188 .0178 .0235 .0158 -.0063 .0047 -.0031
	O2 .0080 0 .16946 .0188 .0265 .0128 .0159 0 .0001 0
	O3 .13081 .16746 .39157 .0109 .0114 .0109 .0108 -.0002 .0022 -.0003
	O4 .13192 .5 .39889 .0121 .0115 .0132 .0116 0 .0019 0
	H .113 .5 .325 .5936 .0121
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 298 K after reversal experiment
	_database_code_amcsd 0004550
	5.3160 9.2043 10.1613 90 100.060 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0217 .0287 .0259 .0264 .0342 0 .0064 0
	MgM1 0 0 .5 .73956 .0127 .0104 .0097 .0188 0 .0048 0
	FeM1 0 0 .5 .26044 .0127 .0104 .0097 .0188 0 .0048 0
	MgM2 0 .34126 .5 .73765 .0104 .0050 .0117 .0132 0 .0010 0
	FeM2 0 .34126 .5 .26235 .0104 .0050 .0117 .0132 0 .0010 0
	Si .07398 .16718 .22456 .6732 .0093 .0076 .0082 .0122 .00020 .00209 .0000
	Al .07398 .16718 .22456 .3060 .0093 .0076 .0082 .0122 .00020 .00209 .0000
	O1 .3280 .2262 .1669 .0182 .0155 .0219 .0177 -.0053 .0046 -.0040
	O2 .0083 0 .1683 .0180 .0232 .0123 .0173 0 .0003 0
	O3 .1304 .16860 .39181 .0104 .0083 .0091 .0138 .0001 .0019 -.0004
	O4 .1351 .5 .4005 .0117 .0111 .0113 .0131 0 .0036 0
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 473 K
	_database_code_amcsd 0004551
	5.3400 9.2470 10.2465 90 100.055 90 C2/m
	atom x y z occ Uiso
	K 0 .5 0 1.0291 .0459
	MgM1 0 0 .5 .7399 .0126
	FeM1 0 0 .5 .2601 .0126
	MgM2 0 .3350 .5 .7380 .0138
	FeM2 0 .3350 .5 .2620 .0138
	Si .0756 .1668 .2261 .6737 .0128
	Al .0756 .1668 .2261 .3062 .0128
	O1 .3254 .2314 .1680 .0269
	O2 .0157 0 .1705 .022
	O3 .1311 .1676 .3916 .0149
	O4 .1275 .5 .3974 .0179
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 673 K
	_database_code_amcsd 0004552
	5.3526 9.2727 10.2787 90 100.069 90 C2/m
	atom x y z occ Uiso
	K 0 .5 0 1.0279 .058
	MgM1 0 0 .5 .7397 .0172
	FeM1 0 0 .5 .2603 .0172
	MgM2 0 .3352 .5 .7380 .0190
	FeM2 0 .3352 .5 .2620 .0190
	Si .0755 .1668 .2268 .6738 .0164
	Al .0755 .1668 .2268 .3062 .0164
	O1 .3188 .2356 .1697 .034
	O2 .028 0 .1721 .037
	O3 .1315 .1672 .3919 .0208
	O4 .128 .5 .3976 .023
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 873 K
	_database_code_amcsd 0004553
	5.3583 9.2866 10.2960 90 100.081 90 C2/m
	atom x y z occ Uiso
	K 0 .5 0 1.0331 .079
	MgM1 0 0 .5 .7383 .0218
	FeM1 0 0 .5 .2617 .0218
	MgM2 0 .3364 .5 .7378 .0229
	FeM2 0 .3364 .5 .2622 .0229
	Si .0761 .1668 .2277 .6739 .0198
	Al .0761 .1668 .2277 .3063 .0198
	O1 .317 .2415 .1679 .038
	O2 .038 0 .1720 .036
	O3 .1308 .1682 .3918 .025
	O4 .131 .5 .3992 .024
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 873 K, after 14 h from previous measurement at same temperature
	_database_code_amcsd 0004554
	5.3560 9.2798 10.2863 90 100.051 90 C2/m
	atom x y z occ Uiso
	K 0 .5 0 1.0277 .077
	MgM1 0 0 .5 .7395 .0228
	FeM1 0 0 .5 .2605 .0228
	MgM2 0 .3375 .5 .7379 .0214
	FeM2 0 .3375 .5 .2621 .0214
	Si .0760 .1670 .2272 .6738 .0195
	Al .0760 .1670 .2272 .3063 .0195
	O1 .3168 .2400 .1696 .038
	O2 .038 0 .1710 .039
	O3 .1308 .1686 .3900 .023
	O4 .133 .5 .3995 .028
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	Phlogopite
	Ventruti G, Zema M, Scordari F, Pedrazzi G
	American Mineralogist 93 (2008) 632-643
	Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
	An in situ X-ray single-crystal diffraction study
	Locality: trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy
	Sample: T = 1023 K
	_database_code_amcsd 0004555
	5.3621 9.2897 10.2986 90 100.064 90 C2/m
	atom x y z occ Uiso
	K 0 .5 0 1.0351 .086
	MgM1 0 0 .5 .7377 .0297
	FeM1 0 0 .5 .2623 .0297
	MgM2 0 .3405 .5 .7381 .0245
	FeM2 0 .3405 .5 .2619 .0245
	Si .0749 .1674 .2268 .6735 .0217
	Al .0749 .1674 .2268 .3061 .0217
	O1 .3132 .2425 .1683 .038
	O2 .041 0 .1718 .042
	O3 .1315 .1688 .3916 .0268
	O4 .134 .5 .4012 .028
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	Phlogopite
	Zema M, Ventruti G, Lacalamita M, Scordari F
	American Mineralogist 95 (2010) 1458-1466
	Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
	under isothermal conditions
	Locality: Mt. Vulture, Potenza, Italy
	Sample: SA1_9
	_database_code_amcsd 0017712
	5.3379 9.2414 10.2311 90 100.023 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 .85 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000
	Na 0 .5 0 .07 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000
	Ba 0 .5 0 .05 .0302 .0292 .0275 .0340 -.0000 -.0063 .0000
	Mg1 0 0 .5 .7546 .0110 .0091 .0076 .0172 -.0000 -.0045 .0000
	Fe1 0 0 .5 .2454 .0110 .0091 .0076 .0172 -.0000 -.0045 .0000
	Mg2 0 .33691 .5 .7346 .0122 .0079 .0125 .0161 -.0000 -.0021 .0000
	Fe2 0 .33691 .5 .2654 .0122 .0079 .0125 .0161 -.0000 -.0021 .0000
	Si .07481 .16700 .22560 .6575 .0103 .0101 .0089 .0123 -.0002 -.0026 -.0001
	Al .07481 .16700 .22560 .3425 .0103 .0101 .0089 .0123 -.0002 -.0026 -.0001
	O1 .3293 .2261 .1684 .0202 .0198 .0239 .0172 -.0048 -.0042 -.0024
	O2 .0071 0 .1692 .0202 .028 .0134 .018 -.0000 -.0014 -.0000
	O3 .1307 .1686 .3923 .0127 .0106 .0126 .0148 -.0004 -.0020 -.0014
	OH4 .1323 .5 .3984 .67 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000
	O4 .1323 .5 .3984 .25 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000
	F4 .1323 .5 .3984 .08 .0132 .0147 .0114 .014 -.0000 -.0029 -.0000
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	Phlogopite
	Zema M, Ventruti G, Lacalamita M, Scordari F
	American Mineralogist 95 (2010) 1458-1466
	Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
	under isothermal conditions
	Locality: Mt. Vulture, Potenza, Italy
	Sample: SA1_18n
	_database_code_amcsd 0017713
	5.32568 9.2207 10.2093 90 100.014 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 .89 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000
	Na 0 .5 0 .08 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000
	Ba 0 .5 0 .03 .0293 .0290 .0290 .0302 -.0000 -.00578 -.0000
	Mg1 0 0 .5 .7398 .0092 .00790 .00668 .01373 -.0000 -.00411 -.0000
	Fe1 0 0 .5 .2602 .0092 .00790 .00668 .01373 -.0000 -.00411 -.0000
	Mg2 0 .33624 .5 .7271 .0103 .00625 .01221 .01251 -.0000 -.00174 -.0000
	Fe2 0 .33624 .5 .2729 .0103 .00625 .01221 .01251 -.0000 -.00174 -.0000
	Si .07499 .16691 .22564 .66 .0086 .00758 .00779 .01077 -.00000 -.00223 -.00010
	Al .07499 .16691 .22564 .34 .0086 .00758 .00779 .01077 -.00000 -.00223 -.00010
	O1 .32993 .22590 .16846 .0180 .0160 .0228 .0161 -.0058 -.0049 -.0029
	O2 .0080 0 .16946 .0180 .0245 .0125 .0158 -.0000 -.0001 -.0000
	O3 .13066 .16766 .39162 .0106 .01004 .01052 .0113 -.00021 -.00219 -.00001
	O4 .13241 .5 .39916 .92 .0114 .0106 .0126 .0110 -.0000 -.0019 -.0000
	F4 .13241 .5 .39916 .08 .0114 .0106 .0126 .0110 -.0000 -.0019 -.0000
	H .101 .5 .318 .6750 .06
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	Phlogopite
	Zema M, Ventruti G, Lacalamita M, Scordari F
	American Mineralogist 95 (2010) 1458-1466
	Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
	under isothermal conditions
	Locality: Mt. Vulture, Potenza, Italy
	Sample: SA1_14n
	_database_code_amcsd 0017714
	5.3403 9.2481 10.2327 90 100.017 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 .83 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000
	Na 0 .5 0 .07 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000
	Ba 0 .5 0 .05 .0309 .0305 .0312 .0309 -.0000 -.0054 -.0000
	Mg1 0 0 .5 .7394 .0102 .0091 .0083 .0140 -.0000 -.00399 -.0000
	Fe1 0 0 .5 .2606 .0102 .0091 .0083 .0140 -.0000 -.00399 -.0000
	Mg2 0 .33601 .5 .7267 .0113 .00745 .01402 .01212 -.0000 -.00120 -.0000
	Fe2 0 .33601 .5 .2733 .0113 .00745 .01402 .01212 -.0000 -.00120 -.0000
	Si .07501 .16686 .22558 .6675 .0100 .00918 .01024 .01073 -.00002 -.00182 -.00013
	Al .07501 .16686 .22558 .3325 .0100 .00918 .01024 .01073 -.00002 -.00182 -.00013
	O1 .3298 .22594 .16828 .0194 .0175 .0251 .0161 -.0055 -.0044 -.0033
	O2 .0076 0 .16904 .0192 .0258 .0136 .0164 -.0000 -.0007 -.0000
	O3 .13088 .16765 .39154 .0119 .0119 .0125 .0112 -.0001 -.0020 -.0003
	O4 .1320 .5 .39921 .915 .0130 .0128 .0147 .0112 -.0000 -.0016 -.0000
	F4 .1320 .5 .39921 .085 .0130 .0128 .0147 .0112 -.0000 -.0016 -.0000
	H .109 .5 .317 .7765 .07
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	Phlogopite
	Zema M, Ventruti G, Lacalamita M, Scordari F
	American Mineralogist 95 (2010) 1458-1466
	Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
	under isothermal conditions
	Locality: Mt. Vulture, Potenza, Italy
	Sample: SA1_5n
	_database_code_amcsd 0017715
	5.3388 9.2464 10.2365 90 100.037 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0367 .0305 .0307 .0308 .0300 -.0000 -.0053 -.0000
	Mg1 0 0 .5 .7414 .0093 .00826 .00752 .0128 -.0000 -.00359 -.0000
	Fe1 0 0 .5 .2586 .0093 .00826 .00752 .0128 -.0000 -.00359 -.0000
	Mg2 0 .33529 .5 .7371 .0104 .00683 .01226 .01191 -.0000 -.00142 -.0000
	Fe2 0 .33529 .5 .2629 .0104 .00683 .01226 .01191 -.0000 -.00142 -.0000
	Si .07513 .16684 .22573 .66 .0094 .00883 .00902 .01052 -.00009 -.00194 -.00002
	Al .07513 .16684 .22573 .34 .0094 .00883 .00902 .01052 -.00009 -.00194 -.00002
	O1 .33059 .22562 .16869 .0187 .0174 .0241 .0152 -.0061 -.0042 -.0031
	O2 .0069 0 .16939 .0187 .0266 .0135 .0147 -.0000 -.0004 -.0000
	O3 .13087 .16741 .39169 .0113 .0123 .0112 .0107 -.00031 -.00202 -.0002
	O4 .13224 .5 .39883 .0124 .0119 .0144 .0110 -.0000 -.0017 -.0000
	H .116 .5 .320 .7389 .09
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	Phlogopite
	Zema M, Ventruti G, Lacalamita M, Scordari F
	American Mineralogist 95 (2010) 1458-1466
	Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
	under isothermal conditions
	Locality: Mt. Vulture, Potenza, Italy
	Sample: SA1_15n
	_database_code_amcsd 0017716
	5.3435 9.2530 10.2458 90 100.006 90 C2/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K 0 .5 0 1.0330 .0327 .0327 .0326 .0329 -.0000 -.0055 -.0000
	Mg1 0 0 .5 .7479 .0108 .0091 .0078 .0162 -.0000 -.0037 -.0000
	Fe1 0 0 .5 .2520 .0108 .0091 .0078 .0162 -.0000 -.0037 -.0000
	Mg2 0 .33531 .5 .7429 .0117 .0077 .0133 .0140 -.0000 -.00151 -.0000
	Fe2 0 .33531 .5 .2571 .0117 .0077 .0133 .0140 -.0000 -.00151 -.0000
	Si .07522 .16690 .22591 .66 .0110 .00979 .00981 .0136 -.00014 -.00239 -.0001
	Al .07522 .16690 .22591 .34 .0110 .00979 .00981 .0136 -.00014 -.00239 -.0001
	O1 .3300 .22577 .16855 .0198 .0172 .0241 .0187 -.0060 -.0047 -.0033
	O2 .0080 0 .1697 .0204 .0254 .0161 .0181 -.0000 -.0002 -.0000
	O3 .1307 .16748 .39138 .0127 .0122 .0123 .0137 -.0002 -.0026 -.0001
	O4 .1317 .5 .3987 .0137 .0118 .0154 .0140 -.0000 -.0021 -.0000
	H .100 .5 .315 .7984 .07
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	Ferrocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 20 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008836
	14.2880 5.7364 5.0562 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3289 .25 .747 .0069 .0061 .0071 .0075 0 -.0002 0
	Mn2+A 0 .3289 .25 .215 .0069 .0061 .0071 .0075 0 -.0002 0
	Ti4+A 0 .3289 .25 .027 .0069 .0061 .0071 .0075 0 -.0002 0
	Nb5+B .1617 .1802 .7479 .947 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Ta5+B .1617 .1802 .7479 .047 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	W6+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Sc3+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Ca2+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Sn4+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	O1 .0971 .1034 .0692 .0075 .0081 .0057 .0088 .0012 -.0003 .0012
	O2 .0815 .3827 .5975 .0092 .0085 .0077 .0114 .0013 -.0003 -.0002
	O3 .2443 .1238 .4186 .0079 .0084 .0072 .0081 -.0014 -.0003 -.0009
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	Ferrocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 300 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008837
	14.3191 5.7482 5.0713 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3283 .25 .747 .0213 .0195 .0160 .0284 0 -.0005 0
	Mn2+A 0 .3283 .25 .215 .0213 .0195 .0160 .0284 0 -.0005 0
	Ti4+A 0 .3283 .25 .027 .0213 .0195 .0160 .0284 0 -.0005 0
	Nb5+B .1617 .1797 .7456 .947 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Ta5+B .1617 .1797 .7456 .047 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	W6+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Sc3+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Ca2+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Sn4+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	O1 .0968 .1029 .0675 .0217 .0213 .0194 .0243 -.0031 .0003 .0028
	O2 .0819 .3828 .5972 .0226 .0239 .0212 .0228 .0004 .0008 -.0006
	O3 .2444 .1248 .4163 .0217 .0242 .0171 .0238 -.0014 .0017 .0018
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	Ferrocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 600 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008838
	14.3515 5.7610 5.0833 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3272 .25 .747 .0299 .0257 .0270 .0369 0 .0004 0
	Mn2+A 0 .3272 .25 .215 .0299 .0257 .0270 .0369 0 .0004 0
	Ti4+A 0 .3272 .25 .027 .0299 .0257 .0270 .0369 0 .0004 0
	Nb5+B .1617 .1799 .7440 .947 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Ta5+B .1617 .1799 .7440 .047 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	W6+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Sc3+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Ca2+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Sn4+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	O1 .0970 .1029 .0631 .0251 .0241 .0191 .0321 .0033 .0019 .0016
	O2 .0816 .3819 .5941 .0314 .0287 .0285 .0371 .0056 -.0043 -.0006
	O3 .2442 .1250 .4167 .0267 .0231 .0233 .0336 -.0027 .0015 .0021
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	Manganocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 20 C
	Locality: Kragero, Norway
	_database_code_amcsd 0008839
	14.3860 5.7478 5.0797 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3197 .25 .792 .0069 .0063 .0082 .0061 0 .0003 0
	Fe2+A 0 .3197 .25 .138 .0069 .0063 .0082 .0061 0 .0003 0
	Ti4+A 0 .3197 .25 .077 .0069 .0063 .0082 .0061 0 .0003 0
	Nb5+B .1626 .1796 .7391 .897 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Ta5+B .1626 .1796 .7391 .083 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Ca2+B .1626 .1796 .7391 .0045 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Sn4+B .1626 .1796 .7391 .0015 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Sc3+B .1626 .1796 .7391 .001 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	W6+B .1626 .1796 .7391 .0005 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	O1 .0984 .0985 .0576 .0088 .0104 .0073 .0088 .0011 .0015 .0019
	O2 .0827 .3836 .5969 .0101 .0111 .0089 .0103 .0014 .0011 -.0004
	O3 .2437 .1259 .4100 .0080 .0092 .0059 .0091 -.0003 .0016 -.0014
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	Manganocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 300 C
	Locality: Kragero, Norway
	_database_code_amcsd 0008840
	14.4159 5.7593 5.0905 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3188 .25 .792 .0158 .0134 .0178 .0160 0 .0012 0
	Fe2+A 0 .3188 .25 .138 .0158 .0134 .0178 .0160 0 .0012 0
	Ti4+A 0 .3188 .25 .077 .0158 .0134 .0178 .0160 0 .0012 0
	Nb5+B .1627 .1792 .7375 .897 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Ta5+B .1627 .1792 .7375 .083 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Ca2+B .1627 .1792 .7375 .0045 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Sn4+B .1627 .1792 .7375 .0015 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Sc3+B .1627 .1792 .7375 .001 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	W6+B .1627 .1792 .7375 .0005 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	O1 .0984 .0990 .0555 .0180 .0167 .0189 .0183 -.0007 -.0007 .0013
	O2 .0829 .3829 .5967 .0205 .0245 .0203 .0168 .0062 0 .0053
	O3 .2449 .1263 .4090 .0173 .0201 .0168 .0151 .0002 .0004 .0053
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	Manganocolumbite
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 600 C
	Sample: Kragero, Norway
	_database_code_amcsd 0008841
	14.4508 5.7741 5.1025 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3171 .25 .792 .0235 .0210 .0260 .0236 0 .0011 0
	Fe2+A 0 .3171 .25 .138 .0235 .0210 .0260 .0236 0 .0011 0
	Ti4+A 0 .3171 .25 .077 .0235 .0210 .0260 .0236 0 .0011 0
	Nb5+B .1628 .1794 .7363 .897 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Ta5+B .1628 .1794 .7363 .083 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Ca2+B .1628 .1794 .7363 .0045 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Sn4+B .1628 .1794 .7363 .0015 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Sc3+B .1628 .1794 .7363 .001 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	W6+B .1628 .1794 .7363 .0005 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	O1 .0981 .0994 .0536 .0242 .0263 .0211 .0253 .0006 .0030 .0029
	O2 .0829 .3838 .5969 .0271 .0351 .0198 .0264 .0043 -.0033 -.0028
	O3 .2446 .1252 .4077 .0252 .0273 .0249 .0233 -.0019 .0016 -.0016
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	Columbite-(Fe)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 20 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008842
	14.2880 5.7364 5.0562 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3289 .25 .747 .0069 .0061 .0071 .0075 0 -.0002 0
	Mn2+A 0 .3289 .25 .215 .0069 .0061 .0071 .0075 0 -.0002 0
	Ti4+A 0 .3289 .25 .027 .0069 .0061 .0071 .0075 0 -.0002 0
	Nb5+B .1617 .1802 .7479 .947 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Ta5+B .1617 .1802 .7479 .047 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	W6+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Sc3+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Ca2+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	Sn4+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001
	O1 .0971 .1034 .0692 .0075 .0081 .0057 .0088 .0012 -.0003 .0012
	O2 .0815 .3827 .5975 .0092 .0085 .0077 .0114 .0013 -.0003 -.0002
	O3 .2443 .1238 .4186 .0079 .0084 .0072 .0081 -.0014 -.0003 -.0009
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	Columbite-(Fe)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 300 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008843
	14.3191 5.7482 5.0713 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3283 .25 .747 .0213 .0195 .0160 .0284 0 -.0005 0
	Mn2+A 0 .3283 .25 .215 .0213 .0195 .0160 .0284 0 -.0005 0
	Ti4+A 0 .3283 .25 .027 .0213 .0195 .0160 .0284 0 -.0005 0
	Nb5+B .1617 .1797 .7456 .947 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Ta5+B .1617 .1797 .7456 .047 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	W6+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Sc3+B .1617 .1797 .7456 .0015 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Ca2+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	Sn4+B .1617 .1797 .7456 .0005 .0170 .0169 .0125 .0216 -.0001 -.0002 -.0001
	O1 .0968 .1029 .0675 .0217 .0213 .0194 .0243 -.0031 .0003 .0028
	O2 .0819 .3828 .5972 .0226 .0239 .0212 .0228 .0004 .0008 -.0006
	O3 .2444 .1248 .4163 .0217 .0242 .0171 .0238 -.0014 .0017 .0018
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	Columbite-(Fe)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample BRA3 at T = 600 C
	Locality: San Jose de Safira, Minas Gerais, Brazil
	_database_code_amcsd 0008844
	14.3515 5.7610 5.0833 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe2+A 0 .3272 .25 .747 .0299 .0257 .0270 .0369 0 .0004 0
	Mn2+A 0 .3272 .25 .215 .0299 .0257 .0270 .0369 0 .0004 0
	Ti4+A 0 .3272 .25 .027 .0299 .0257 .0270 .0369 0 .0004 0
	Nb5+B .1617 .1799 .7440 .947 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Ta5+B .1617 .1799 .7440 .047 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	W6+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Sc3+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Ca2+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	Sn4+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002
	O1 .0970 .1029 .0631 .0251 .0241 .0191 .0321 .0033 .0019 .0016
	O2 .0816 .3819 .5941 .0314 .0287 .0285 .0371 .0056 -.0043 -.0006
	O3 .2442 .1250 .4167 .0267 .0231 .0233 .0336 -.0027 .0015 .0021
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	Columbite-(Mn)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 20 C
	Locality: Kragero, Norway
	_database_code_amcsd 0008845
	14.3860 5.7478 5.0797 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3197 .25 .792 .0069 .0063 .0082 .0061 0 .0003 0
	Fe2+A 0 .3197 .25 .138 .0069 .0063 .0082 .0061 0 .0003 0
	Ti4+A 0 .3197 .25 .077 .0069 .0063 .0082 .0061 0 .0003 0
	Nb5+B .1626 .1796 .7391 .897 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Ta5+B .1626 .1796 .7391 .083 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Ca2+B .1626 .1796 .7391 .0045 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Sn4+B .1626 .1796 .7391 .0015 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	Sc3+B .1626 .1796 .7391 .001 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	W6+B .1626 .1796 .7391 .0005 .0072 .0082 .0062 .0071 .0002 .0005 -.0001
	O1 .0984 .0985 .0576 .0088 .0104 .0073 .0088 .0011 .0015 .0019
	O2 .0827 .3836 .5969 .0101 .0111 .0089 .0103 .0014 .0011 -.0004
	O3 .2437 .1259 .4100 .0080 .0092 .0059 .0091 -.0003 .0016 -.0014
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	Columbite-(Mn)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 300 C
	Locality: Kragero, Norway
	_database_code_amcsd 0008846
	14.4159 5.7593 5.0905 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3188 .25 .792 .0158 .0134 .0178 .0160 0 .0012 0
	Fe2+A 0 .3188 .25 .138 .0158 .0134 .0178 .0160 0 .0012 0
	Ti4+A 0 .3188 .25 .077 .0158 .0134 .0178 .0160 0 .0012 0
	Nb5+B .1627 .1792 .7375 .897 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Ta5+B .1627 .1792 .7375 .083 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Ca2+B .1627 .1792 .7375 .0045 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Sn4+B .1627 .1792 .7375 .0015 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	Sc3+B .1627 .1792 .7375 .001 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	W6+B .1627 .1792 .7375 .0005 .0124 .0116 .0129 .0126 .0006 -.0008 -.0002
	O1 .0984 .0990 .0555 .0180 .0167 .0189 .0183 -.0007 -.0007 .0013
	O2 .0829 .3829 .5967 .0205 .0245 .0203 .0168 .0062 0 .0053
	O3 .2449 .1263 .4090 .0173 .0201 .0168 .0151 .0002 .0004 .0053
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	Columbite-(Mn)
	Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
	Physics and Chemistry of Minerals 30 (2003) 590-598
	High-temperature X-ray investigation of natural columbites
	Note: sample KRA5 at T = 600 C
	Sample: Kragero, Norway
	_database_code_amcsd 0008847
	14.4508 5.7741 5.1025 90 90 90 Pbcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn2+A 0 .3171 .25 .792 .0235 .0210 .0260 .0236 0 .0011 0
	Fe2+A 0 .3171 .25 .138 .0235 .0210 .0260 .0236 0 .0011 0
	Ti4+A 0 .3171 .25 .077 .0235 .0210 .0260 .0236 0 .0011 0
	Nb5+B .1628 .1794 .7363 .897 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Ta5+B .1628 .1794 .7363 .083 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Ca2+B .1628 .1794 .7363 .0045 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Sn4+B .1628 .1794 .7363 .0015 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	Sc3+B .1628 .1794 .7363 .001 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	W6+B .1628 .1794 .7363 .0005 .0176 .0172 .0180 .0177 .0001 -.0008 -.0003
	O1 .0981 .0994 .0536 .0242 .0263 .0211 .0253 .0006 .0030 .0029
	O2 .0829 .3838 .5969 .0271 .0351 .0198 .0264 .0043 -.0033 -.0028
	O3 .2446 .1252 .4077 .0252 .0273 .0249 .0233 -.0019 .0016 -.0016
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	Tapiolite-(Fe)
	Zema M, Tarantino S C, Giorgiani A
	Mineralogical Magazine 70 (2006) 319-328
	Structural changes induced by cation ordering in ferrotapiolite
	Note: Crystal Kim1_q0, untreated
	Locality: Kimito, Finland
	_database_code_amcsd 0018700
	4.7533 4.7533 9.2876 90 90 90 P4_2/mnm
	atom x y z occ
	Fe(A) 0 0 0 .436
	Ta(A) 0 0 0 .564
	Fe(B) 0 0 .33295 .282
	Ta(B) 0 0 .33295 .653
	Nb(B) 0 0 .33295 .065
	O1 .3030 .3030 0
	O2 .3015 .3015 .3320
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