|
Columbite-(Fe) |
 |
Wenger M, Armbruster T, Geiger C A |
 |
American Mineralogist 76 (1991) 1897-1904 |
|
Cation distribution in partially ordered columbite from the Kings Mountain |
|
pegmatite, North Carolina |
|
sample NCP5, T = 100 K |
|
_database_code_amcsd 0001435 |
|
14.189 5.727 5.120 90 90 90 Pbcn |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NbA 0 .3328 .25 .346 1.25 .0155 .0165 .0154 0 .0007 0 |
|
TaA 0 .3328 .25 .115 1.25 .0155 .0165 .0154 0 .0007 0 |
|
FeA 0 .3328 .25 .539 1.25 .0155 .0165 .0154 0 .0007 0 |
|
NbB .16456 .17114 .7473 .578 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
|
TaB .16456 .17114 .7473 .192 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
|
FeB .16456 .17114 .7473 .230 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
|
O1 .0920 .110 .076 1.15 .016 .012 .015 -.002 -.001 .001 |
|
O2 .4216 .117 .090 1.10 .015 .013 .014 .000 .001 -.004 |
|
O3 .7560 .1191 .084 1.15 .017 .012 .015 .002 .003 -.002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Columbite-(Fe) |
|
Wenger M, Armbruster T, Geiger C A |
|
American Mineralogist 76 (1991) 1897-1904 |
|
Cation distribution in partially ordered columbite from the Kings Mountain |
|
pegmatite, North Carolina |
|
SAMPLE ncp1, T = 293 K |
|
_database_code_amcsd 0001436 |
|
14.221 5.727 5.102 90 90 90 Pbcn |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NbA 0 .3327 .25 .271 1.25 0.0090 0.0115 0.0105 0 0.001 0 |
|
TaA 0 .3327 .25 .091 1.25 0.0090 0.0115 0.0105 0 0.001 0 |
|
FeA 0 .3327 .25 .638 1.25 0.0090 0.0115 0.0105 0 0.001 0 |
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NbB .16391 .1725 .7462 .614 .49 0.0049 0.0076 0.0062 -.0002 .0000 0.001 |
|
TaB .16391 .1725 .7462 .205 .49 0.0049 0.0076 0.0062 -.0002 .0000 0.001 |
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FeB .16391 .1725 .7462 .181 .49 0.0049 0.0076 0.0062 -.0002 .0000 0.001 |
|
O1 .0941 .107 .072 0.7 |
|
O2 .4211 .117 .090 0.4 |
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O3 .7577 .120 .082 0.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
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atom x y z occ Uiso |
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FeA 0 .32935 .25 .202 .0066 |
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MnA 0 .32935 .25 .767 .0066 |
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TiA 0 .32935 .25 .028 .0066 |
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ScA 0 .32935 .25 .001 .0066 |
|
CaA 0 .32935 .25 .001 .0066 |
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SnA 0 .32935 .25 .001 .0066 |
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NbB .161507 .18026 .747924 .955 .0047 |
|
TaB .161507 .18026 .747924 .040 .0047 |
|
TiB .161507 .18026 .747924 .004 .0047 |
|
WB .161507 .18026 .747924 .001 .0047 |
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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 (permalink) |
| |
|
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 |
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FeA 0 .32531 .25 .462 .0081 |
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MnA 0 .32531 .25 .476 .0081 |
|
ScA 0 .32531 .25 .045 .0081 |
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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 |
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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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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 (permalink) |
| |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Columbite |
| |
Sturdivant J |
| |
Zeitschrift fur Kristallographie 75 (1930) 88-108 |
|
The Crystal Structure of Columbite |
|
_cod_database_code 1010915 |
|
_database_code_amcsd 0017641 |
|
5.082 14.238 5.73 90 90 90 Pnca |
|
atom x y z |
|
Fe1 .75 0 .6 |
|
Nb1 0 .163 .075 |
|
O1 .333 .09 .155 |
|
O2 .333 .41 .15 |
|
O3 .32 .75 .17 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Columbite-(Fe) |
|
dos Santos C A, Zawislak L I, Kinast E J, Antonietti V, da Cunha J B M |
| |
Brazilian Journal of Physics 31 (2001) 616-631 |
|
Crystal chemistry and structure of the orthorhombic |
|
(Fe,Mn)(Ta,Nb)2O6 family of compounds |
|
Note: Sample Fe(Ta0.4Nb0.6)2O6 |
|
Locality: Brazil |
|
_database_code_amcsd 0018629 |
|
14.2737 5.73543 5.0554 90 90 90 Pbcn |
|
atom x y z occ |
|
Fe 0 .335 .25 |
|
Nb .1618 .179 .744 .6 |
|
Ta .1618 .179 .744 .4 |
|
O1 .096 .11 .06 |
|
O2 .418 .11 .07 |
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O3 .765 .11 .08 |
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View JMOL 3-D Structure (permalink) |
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Columbite-(Fe) |
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Bordet P, McHale A, Santoro A, Roth R |
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Journal of Solid State Chemistry 64 (1986) 30-46 |
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Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24 and FeNb2O6 |
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_cod_database_code 1008356 |
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_database_code_amcsd 0016267 |
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14.2661 5.7334 5.0495 90 90 90 Pbcn |
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atom x y z |
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Fe 0 .3311 .25 |
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Nb .3389 .3191 .2506 |
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O1 .0963 .1041 .0727 |
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O2 .4189 .1163 .0990 |
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O3 .7560 .1236 .0793 |
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Columbite-(Mg) |
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Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T |
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Journal of Solid State Chemistry 134 (1997) 76-84 |
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Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder |
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diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence |
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of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14 |
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Locality: synthetic |
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Note: reported and calculated Biso(O2)'s do not match |
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_database_code_amcsd 0013945 |
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14.1875 5.7001 5.0331 90 90 90 Pbcn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 .1688 .25 .40 .00038 .0049 .0033 0 -.0001 0 |
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Nb .15993 .3181 .7538 .24 .00028 .0014 .0028 .0001 .0005 .0011 |
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O1 .0955 .3944 .4321 .37 .00067 .0025 .0033 -.0001 -.0004 .0011 |
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O2 .0796 .1163 .9077 .25 .00048 .0063 .0032 -.0006 .0001 .0001 |
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O3 .2560 .1222 .5833 .33 .00051 .0013 .0029 .0006 .0006 -.0002 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink) |
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