American Mineralogist Crystal Structure Database

33 matching records for this search.

Columbite-(Fe)
Download hom/columbitefe.pdf
Wenger M, Armbruster T, Geiger C A
Download am/vol76/AM76_1897.pdf
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)
Download hom/columbitefe.pdf
Wenger M, Armbruster T, Geiger C A
Download am/vol76/AM76_1897.pdf
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
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
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
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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 (permalink)
 
Columbite-(Fe)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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 (permalink)
 
Columbite-(Mn)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitefe.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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
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Columbite-(Mn)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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
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Columbite-(Mn)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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
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Columbite-(Mn)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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)
Download hom/columbitemn.pdf
Tarantino S C, Zema M
Download am/vol90/AM90_1291.pdf
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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Columbite-(Fe)
Download hom/columbitefe.pdf
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)
Download hom/columbitefe.pdf
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)
Download hom/columbitefe.pdf
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)
Download hom/columbitemn.pdf
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)
Download hom/columbitemn.pdf
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)
Download hom/columbitemn.pdf
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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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
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Columbite-(Fe)
Download hom/columbitefe.pdf
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
O3    .765  .11  .08
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Columbite-(Fe)
Download hom/columbitefe.pdf
Bordet P, McHale A, Santoro A, Roth R
 
Journal of Solid State Chemistry 64 (1986) 30-46
Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24 and FeNb2O6
_cod_database_code 1008356
_database_code_amcsd 0016267
14.2661 5.7334 5.0495 90 90 90 Pbcn
atom     x     y     z
Fe       0 .3311   .25
Nb   .3389 .3191 .2506
O1   .0963 .1041 .0727
O2   .4189 .1163 .0990
O3   .7560 .1236 .0793
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Columbite-(Mg)
Download hom/columbitemg.pdf
Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T
 
Journal of Solid State Chemistry 134 (1997) 76-84
Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder
diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence
of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14
Locality: synthetic
Note: reported and calculated Biso(O2)'s do not match
_database_code_amcsd 0013945
14.1875 5.7001 5.0331 90 90 90 Pbcn
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg        0 .1688   .25  .40 .00038  .0049  .0033      0 -.0001      0
Nb   .15993 .3181 .7538  .24 .00028  .0014  .0028  .0001  .0005  .0011
O1    .0955 .3944 .4321  .37 .00067  .0025  .0033 -.0001 -.0004  .0011
O2    .0796 .1163 .9077  .25 .00048  .0063  .0032 -.0006  .0001  .0001
O3    .2560 .1222 .5833  .33 .00051  .0013  .0029  .0006  .0006 -.0002
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