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Columbite-(Fe) |
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Wenger M, Armbruster T, Geiger C A |
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American Mineralogist 76 (1991) 1897-1904 |
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Cation distribution in partially ordered columbite from the Kings Mountain |
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pegmatite, North Carolina |
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sample NCP5, T = 100 K |
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_database_code_amcsd 0001435 |
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14.189 5.727 5.120 90 90 90 Pbcn |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NbA 0 .3328 .25 .346 1.25 .0155 .0165 .0154 0 .0007 0 |
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TaA 0 .3328 .25 .115 1.25 .0155 .0165 .0154 0 .0007 0 |
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FeA 0 .3328 .25 .539 1.25 .0155 .0165 .0154 0 .0007 0 |
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NbB .16456 .17114 .7473 .578 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
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TaB .16456 .17114 .7473 .192 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
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FeB .16456 .17114 .7473 .230 1.057 .0157 .0131 .0114 -.0003 .0002 .0007 |
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O1 .0920 .110 .076 1.15 .016 .012 .015 -.002 -.001 .001 |
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O2 .4216 .117 .090 1.10 .015 .013 .014 .000 .001 -.004 |
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O3 .7560 .1191 .084 1.15 .017 .012 .015 .002 .003 -.002 |
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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 |
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pegmatite, North Carolina |
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SAMPLE ncp1, T = 293 K |
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_database_code_amcsd 0001436 |
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14.221 5.727 5.102 90 90 90 Pbcn |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NbA 0 .3327 .25 .271 1.25 0.0090 0.0115 0.0105 0 0.001 0 |
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TaA 0 .3327 .25 .091 1.25 0.0090 0.0115 0.0105 0 0.001 0 |
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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 |
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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 |
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O1 .0941 .107 .072 0.7 |
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O2 .4211 .117 .090 0.4 |
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O3 .7577 .120 .082 0.6 |
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Milarite |
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Armbruster T, Bermanec V, Wenger M, Oberhansli R |
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European Journal of Mineralogy 1 (1989) 353-362 |
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Crystal chemistry of double-ring silicates: |
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Structure of natural and dehydrated milarite at 100 K |
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Note: natural sample |
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Locality: Val Giuf, Graubunden, Switzerland |
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_database_code_amcsd 0006356 |
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10.398 10.398 13.771 90 90 120 P6/mcc |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KC 0 0 1/4 .744 .0092 .0092 .0099 .0046 0 0 |
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CaA 1/3 2/3 1/4 1.441 .0123 .0123 .0302 .0061 0 0 |
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BeT2 1/2 1/2 1/4 .77 .29 .0034 .0034 .0041 .0016 0 0 |
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AlT2 1/2 1/2 1/4 .23 .29 .0034 .0034 .0041 .0016 0 0 |
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SiT1 .08115 .33622 .11286 .432 .0052 .0063 .0048 .0028 -.004 -.0006 |
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O1 .0937 .3831 0 .98 .0200 .0128 .0046 .0083 0 0 |
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O2 .1951 .2760 .13492 .89 .0112 .0158 .0117 .0104 -.0022 -.0032 |
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O3 .1149 .4731 .18100 .62 .0091 .0076 .0073 .0045 -.0018 -.0022 |
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KB 1/3 2/3 0 .07 2.4 .02 .02 .05 .01 0 0 |
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OB' 1/3 2/3 .0476 .147 1.0 |
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KD 0 0 0 .013 1.0 |
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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
|
| |
|
Milarite |
|
Armbruster T, Bermanec V, Wenger M, Oberhansli R |
| |
European Journal of Mineralogy 1 (1989) 353-362 |
|
Crystal chemistry of double-ring silicates: |
|
Structure of natural and dehydrated milarite at 100 K |
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Note: heated sample |
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_database_code_amcsd 0006357 |
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10.363 10.363 13.827 90 90 120 P6/mcc |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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KC 0 0 1/4 .98 .0123 .0123 .0125 .0062 0 0 |
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CaA 1/3 2/3 1/4 1.03 .0130 .0130 .0132 .0065 0 0 |
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BeT2 1/2 1/2 1/4 .787 .23 .002 .002 .003 .000 0 0 |
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AlT2 1/2 1/2 1/4 .213 .23 .002 .002 .003 .000 0 0 |
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SiT1 .08214 .33739 .11237 .487 .0061 .0065 .0055 .0029 -.0004 -.0002 |
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O1 .0954 .3854 0 .95 .018 .012 .0052 .0071 0 0 |
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O2 .1962 .2771 .1345 .90 .0115 .0154 .0111 .0096 -.0016 -.0018 |
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O3 .1159 .4742 .18059 .65 .0106 .0081 .0062 .0049 -.0015 -.0017 |
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KB 1/3 2/3 0 .10 2.7 .024 .024 .05 .012 0 0 |
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KD 0 0 0 .17 1.0 |
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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
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