|
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 |
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MnA 0 .32435 .25 .457 .0079 |
|
TiA 0 .32435 .25 .007 .0079 |
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SnA 0 .32435 .25 .001 .0079 |
|
CaA 0 .32435 .25 .001 .0079 |
|
NbB .162060 .17992 .74297 .918 .0063 |
|
TaB .162060 .17992 .74297 .047 .0063 |
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TiB .162060 .17992 .74297 .028 .0063 |
|
WB .162060 .17992 .74297 .007 .0063 |
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O1 .09738 .1011 .0633 .0084 |
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O2 .08183 .3842 .5963 .0098 |
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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 |
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14.4003 5.7501 5.0784 90 90 90 Pbcn |
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atom x y z occ Uiso |
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FeA 0 .31956 .25 .806 .0074 |
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MnA 0 .31956 .25 .148 .0074 |
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TiA 0 .31956 .25 .034 .0074 |
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CaA 0 .31956 .25 .008 .0074 |
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SnA 0 .31956 .25 .003 .0074 |
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ScA 0 .31956 .25 .001 .0074 |
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NbB .162545 .17972 .73927 .901 .0056 |
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TaB .162545 .17972 .73927 .076 .0056 |
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TiB .162545 .17972 .73927 .023 .0056 |
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O1 .09818 .0991 .0581 .0084 |
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O2 .41740 .1164 .0969 .0092 |
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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-(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 |
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14.325 5.744 5.113 90 90 90 Pbcn |
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atom x y z occ Uiso |
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MnA 0 .32419 .25 .555 .0111 |
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NbA 0 .32419 .25 .235 .0111 |
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FeA 0 .32419 .25 .099 .0111 |
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TaA 0 .32419 .25 .046 .0111 |
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TiA 0 .32419 .25 .024 .0111 |
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CaA 0 .32419 .25 .009 .0111 |
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NbB .16390 .17599 .74219 .770 .0073 |
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MnB .16390 .17599 .74219 .117 .0073 |
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TaB .16390 .17599 .74219 .066 .0073 |
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FeB .16390 .17599 .74219 .021 .0073 |
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TiB .16390 .17599 .74219 .002 .0073 |
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O1 .0958 .1035 .0645 .0132 |
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O2 .4198 .1159 .0925 .0125 |
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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 |
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Note: Occupancies calculated assuming complete Fe/Mn disorder |
|
_database_code_amcsd 0003861 |
|
14.344 5.739 5.105 90 90 90 Pbcn |
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atom x y z occ Uiso |
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MnA 0 .32241 .25 .612 .0097 |
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FeA 0 .32241 .25 .110 .0097 |
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NbA 0 .32241 .25 .167 .0097 |
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TaA 0 .32241 .25 .042 .0097 |
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TiA 0 .32241 .25 .026 .0097 |
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CaA 0 .32241 .25 .008 .0097 |
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NbB .16371 .17733 .74098 .804 .0076 |
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MnB .16371 .17733 .74098 .087 .0076 |
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TaB .16371 .17733 .74098 .068 .0076 |
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FeB .16371 .17733 .74098 .016 .0076 |
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TiB .16371 .17733 .74098 .002 .0076 |
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O1 .0959 .1041 .0632 .0140 |
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O2 .4188 .1163 .0927 .0124 |
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O3 .7563 .1234 .0888 .0110 |
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|
| 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 |
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MnA 0 .32200 .25 .648 .0098 |
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NbA 0 .32200 .25 .123 .0098 |
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FeA 0 .32200 .25 .116 .0098 |
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TaA 0 .32200 .25 .044 .0098 |
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TiA 0 .32200 .25 .028 .0098 |
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CaA 0 .32200 .25 .008 .0098 |
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NbB .16367 .17764 .74094 .826 .0076 |
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MnB .16367 .17764 .74094 .069 .0076 |
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TaB .16367 .17764 .74094 .067 .0076 |
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FeB .16367 .17764 .74094 .012 .0076 |
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TiB .16367 .17764 .74094 .002 .0076 |
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O1 .0962 .1037 .0627 .0135 |
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O2 .4191 .1155 .0928 .0125 |
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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 |
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FeA 0 .32118 .25 .123 .0087 |
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NbA 0 .32118 .25 .077 .0087 |
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TaA 0 .32118 .25 .040 .0087 |
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TiA 0 .32118 .25 .030 .0087 |
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CaA 0 .32118 .25 .008 .0087 |
|
NbB .16339 .17830 .74020 .849 .0066 |
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TaB .16339 .17830 .74020 .069 .0066 |
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MnB .16339 .17830 .74020 .049 .0066 |
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FeB .16339 .17830 .74020 .009 .0066 |
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TiB .16339 .17830 .74020 .001 .0066 |
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O1 .09674 .1020 .0604 .0121 |
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O2 .41849 .1154 .0934 .0118 |
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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 |
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FeA 0 .32096 .25 .126 .0091 |
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NbA 0 .32096 .25 .061 .0091 |
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TaA 0 .32096 .25 .039 .0091 |
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TiA 0 .32096 .25 .030 .0091 |
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CaA 0 .32096 .25 .009 .0091 |
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NbB .16331 .17850 .74029 .857 .0069 |
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TaB .16331 .17850 .74029 .069 .0069 |
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MnB .16331 .17850 .74029 .042 .0069 |
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FeB .16331 .17850 .74029 .007 .0069 |
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TiB .16331 .17850 .74029 .001 .0069 |
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O1 .0970 .1019 .0603 .0127 |
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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 (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 |
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FeA 0 .32071 .25 .133 .0064 |
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TiA 0 .32071 .25 .032 .0064 |
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NbA 0 .32071 .25 .023 .0064 |
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TaA 0 .32071 .25 .028 .0064 |
|
CaA 0 .32071 .25 .009 .0064 |
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NbB .16305 .17880 .73984 .876 .0044 |
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TaB .16305 .17880 .73984 .075 .0044 |
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MnB .16305 .17880 .73984 .021 .0044 |
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FeB .16305 .17880 .73984 .004 .0044 |
|
O1 .0972 .1005 .0597 .0091 |
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O2 .4181 .1155 .0957 .0094 |
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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 (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 |
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TaB .162783 .17929 .73941 .078 .0041 |
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MnB .162783 .17929 .73941 .011 .0041 |
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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)
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 = 20 C |
|
Locality: Kragero, Norway |
|
_database_code_amcsd 0008845 |
|
14.3860 5.7478 5.0797 90 90 90 Pbcn |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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