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Chondrodite |
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Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
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Physics and Chemistry of Minerals 33 (2006) 17-27 |
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High-temperature single-crystal neutron diffraction |
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study of natural chondrodite |
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Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 500 K |
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_database_code_amcsd 0009017 |
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4.7375 10.2920 7.8897 109.071 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0081 .0064 .0086 .0078 .0010 .0013 .0006 |
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Fe1 .5 0 .5 .12 .0081 .0064 .0086 .0078 .0010 .0013 .0006 |
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Mg2 .0104 .17338 .30720 .00747 .0074 .0069 .0085 .0003 -.0001 .0031 |
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Mg3 .4917 .88608 .07902 .00810 .0083 .0085 .0078 -.0001 -.0007 .0031 |
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Si .0764 .14428 .70407 .0053 .0037 .0062 .0060 -.0001 -.0001 .0019 |
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O1 .7794 .00060 .29406 .00778 .0074 .0064 .0101 .0002 .0003 .0035 |
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O2 .7267 .24097 .12552 .00803 .0072 .0075 .0075 -.0002 .0006 -.0002 |
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O3 .2235 .16901 .52906 .00783 .0070 .0103 .0072 -.0003 .0001 .0043 |
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O4 .26390 .85468 .29459 .00763 .0043 .0094 .0091 -.0001 .0001 .0028 |
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Oh5 .247 .0532 .0922 .43 .0100 .0097 .0094 .0104 .0005 .0017 .0027 |
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H .0899 .0139 .0197 .43 .0272 .018 .030 .028 -.0038 -.0057 .0025 |
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F .2686 .0592 .1038 .57 .0100 .0097 .0094 .0104 .0005 .0017 .0027 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Chondrodite |
|
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
| |
Physics and Chemistry of Minerals 33 (2006) 17-27 |
|
High-temperature single-crystal neutron diffraction |
|
study of natural chondrodite |
|
Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 700 K |
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_database_code_amcsd 0009018 |
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4.7426 10.3082 7.9010 109.072 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0112 .0089 .0122 .0105 .0017 .0019 .0010 |
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Fe1 .5 0 .5 .12 .0112 .0089 .0122 .0105 .0017 .0019 .0010 |
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Mg2 .0106 .17317 .30750 .01029 .0101 .0096 .0117 .0005 -.0002 .0043 |
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Mg3 .4913 .88585 .07874 .01097 .0111 .0114 .0107 -.0001 -.0012 .0040 |
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Si .0764 .14429 .70404 .00703 .0047 .0082 .0079 -.0002 -.0000 .0022 |
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O1 .77955 .00036 .29422 .01037 .0097 .0085 .0137 .0002 .0004 .0047 |
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O2 .72627 .24116 .12571 .01072 .0094 .0102 .0100 -.0003 .0008 -.0001 |
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O3 .22333 .16910 .52937 .01046 .0089 .0142 .0097 -.0003 .0003 .0058 |
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O4 .26330 .85451 .29455 .01019 .0054 .0128 .0122 -.0001 .0002 .0039 |
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Oh5 .247 .0531 .0923 .43 .0135 .0129 .0130 .0144 .0010 .0026 .0041 |
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H .0907 .0141 .0201 .43 .0344 .023 .039 .035 -.0055 -.0075 .004 |
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F .2685 .0589 .1038 .57 .0135 .0129 .0130 .0144 .0010 .0026 .0041 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Chondrodite |
|
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T |
| |
Physics and Chemistry of Minerals 33 (2006) 17-27 |
|
High-temperature single-crystal neutron diffraction |
|
study of natural chondrodite |
|
Locality: Tilly Foster Mine, Brewster, New York |
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Sample: T = 900 K |
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_database_code_amcsd 0009019 |
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4.7501 10.3297 7.91912 109.048 90 90 P2_1/b |
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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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Mg1 .5 0 .5 .88 .0144 .0105 .0161 .0141 .0020 .0023 .0016 |
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Fe1 .5 0 .5 .12 .0144 .0105 .0161 .0141 .0020 .0023 .0016 |
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Mg2 .0106 .17278 .3077 .0128 .0122 .0127 .0144 .0007 -.0004 .0055 |
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Mg3 .4910 .88556 .0785 .0137 .0130 .0151 .0134 -.0003 -.0015 .0052 |
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Si .0766 .14445 .7039 .0087 .0050 .0104 .0105 -.0002 -.0002 .0031 |
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O1 .7800 .00004 .29439 .0128 .0115 .0109 .0169 .0006 .0007 .0057 |
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O2 .7259 .24156 .12591 .0135 .0111 .0133 .0127 -.0004 .0010 -.0006 |
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O3 .2233 .16916 .52968 .0130 .0106 .0183 .0118 -.0005 .0005 .0074 |
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O4 .2626 .85449 .29471 .0128 .0059 .0170 .0154 -.0001 .0004 .0050 |
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Oh5 .247 .0529 .0921 .43 .0172 .0155 .0172 .0188 .0010 .0031 .0056 |
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H .0924 .0146 .0215 .43 .0410 .029 .044 .042 -.006 -.007 .004 |
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F .2693 .0589 .1043 .57 .0172 .0155 .0172 .0188 .0010 .0031 .0056 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Magnocolumbite |
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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 0013944 |
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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)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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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 |
|
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 |
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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)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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