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Pyrochlore |
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Perrault G |
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The Canadian Mineralogist 9 (1968) 383-402 |
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La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. |
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Sample: No. 1 |
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_database_code_amcsd 0005084 |
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10.43 10.43 10.43 90 90 90 Fd3m |
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atom x y z Biso |
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Nb 5/8 5/8 5/8 1.59 |
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Ca .125 .125 .125 1.59 |
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O .316 0 0 1.59 |
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F 0 0 0 1.59 |
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Pyrochlore |
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Perrault G |
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The Canadian Mineralogist 9 (1968) 383-402 |
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La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. |
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Sample: No. 2 |
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_database_code_amcsd 0005085 |
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10.393 10.393 10.393 90 90 90 Fd3m |
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atom x y z Biso |
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Nb 5/8 5/8 5/8 1.45 |
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Ca .125 .125 .125 1.45 |
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O .313 0 0 1.45 |
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F 0 0 0 1.45 |
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Pyrochlore |
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Perrault G |
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The Canadian Mineralogist 9 (1968) 383-402 |
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La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. |
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Sample: No. 3 |
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_database_code_amcsd 0005086 |
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10.428 10.428 10.428 90 90 90 Fd3m |
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atom x y z Biso |
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Nb 5/8 5/8 5/8 1.49 |
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Ca .125 .125 .125 1.49 |
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O .322 0 0 1.49 |
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F 0 0 0 1.49 |
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Pyrochlore |
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Perrault G |
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The Canadian Mineralogist 9 (1968) 383-402 |
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La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. |
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Sample: No. 4 |
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_database_code_amcsd 0005087 |
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10.3947 10.3947 10.3947 90 90 90 Fd3m |
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atom x y z Biso |
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Nb 5/8 5/8 5/8 2.00 |
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Ca .125 .125 .125 2.00 |
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O .315 0 0 2.00 |
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F 0 0 0 2.00 |
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| |
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Pyrochlore |
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Perrault G |
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The Canadian Mineralogist 9 (1968) 383-402 |
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La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. |
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Sample: No. 5 |
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_database_code_amcsd 0005088 |
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10.4205 10.4205 10.4205 90 90 90 Fd3m |
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atom x y z Biso |
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Nb 5/8 5/8 5/8 3.03 |
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Ca .125 .125 .125 3.03 |
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O .330 0 0 3.03 |
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F 0 0 0 3.03 |
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Weloganite |
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Grice J D, Perrault G |
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The Canadian Mineralogist 13 (1975) 209-216 |
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The crystal structure of triclinic weloganite |
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Note: y-coordinate of Sr2 changed. |
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Locality: St. Michel, Montreal Island, Quebec, Canada |
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_database_code_amcsd 0005116 |
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8.966 8.980 6.730 102.72 116.65 60.66 P1 |
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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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Sr1 .4679 .6565 .3769 .93 .0100 .0084 .0086 -.0038 .0024 .0009 |
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Ca1 .4679 .6565 .3769 .07 .0100 .0084 .0086 -.0038 .0024 .0009 |
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Sr2 .7769 .0025 .3661 .93 .0102 .0096 .0093 -.0049 .0042 -.0010 |
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Ca2 .7769 .0025 .3661 .07 .0102 .0096 .0093 -.0049 .0042 -.0010 |
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Sr3 .1224 .3442 .3763 .93 .0115 .0103 .0108 -.0052 .0041 -.0008 |
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Ca3 .1224 .3442 .3763 .07 .0115 .0103 .0108 -.0052 .0041 -.0008 |
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Zr 0 0 0 .0064 .0052 .0058 -.0028 .0022 -.0002 |
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Na1 .321 .336 -.014 .016 .022 .013 -.009 .001 .000 |
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Na2 .661 .670 -.013 .015 .015 .010 -.009 .006 -.004 |
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C1 .409 .000 .252 .009 |
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C2 .081 .675 .245 .011 |
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C3 .749 .325 .236 .006 |
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C4 .833 .308 .801 .013 |
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C5 .236 .799 .795 .007 |
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C6 .722 .900 .790 .012 |
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O1 .260 -.003 .248 .008 .019 .011 -.007 .003 -.004 |
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O2 .415 .140 .285 .013 .010 .021 -.010 .007 -.003 |
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O3 .538 -.140 .219 .009 .024 .016 -.007 .010 -.002 |
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O4 -.060 .680 .253 .013 .017 .023 -.009 .004 .002 |
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O5 .079 .824 .244 .008 .007 .008 -.004 .002 -.003 |
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O6 .226 .535 .250 .014 .008 .018 -.005 .007 -.003 |
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O7 .616 .320 .247 .014 .011 .018 -.008 .015 -.011 |
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O8 .749 .464 .224 .018 .012 .016 -.007 .009 -.005 |
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O9 .905 .179 .251 .016 .006 .009 -.002 .010 .000 |
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O10 .763 .199 .735 .015 .008 .008 -.002 -.001 -.002 |
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O11 .745 .456 .714 .018 .005 .017 -.002 .008 .004 |
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O12 .999 .252 .960 .014 .016 .009 -.005 .000 .005 |
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O13 .102 .952 .731 .011 .013 .012 -.006 .003 .001 |
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O14 .358 .711 .713 .016 .015 .015 -.008 .005 .003 |
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O15 .235 .741 .957 .011 .010 .004 -.004 .005 .000 |
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O16 .608 .839 .703 .019 .023 .015 -.017 .006 -.005 |
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O17 .857 .859 .727 .011 .012 .014 -.008 .004 .001 |
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O18 .721 .008 .951 .018 .020 .004 -.015 .006 -.006 |
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Wat1 .272 .132 .711 .018 .016 .020 -.010 .009 .000 |
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Wat2 .022 .507 .700 .010 .013 .016 -.003 .006 -.001 |
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Wat3 .400 .381 .712 .013 .012 .022 -.006 .008 -.005 |
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Lemoynite |
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Le Page Y, Perrault G |
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The Canadian Mineralogist 14 (1976) 132-138 |
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Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O |
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Note: x-coordinate of Na1 changed. |
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_database_code_amcsd 0005120 |
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10.384 15.947 18.601 90 104.59 90 C2/c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zr .25326 .24187 .24647 .93 .0100 .0100 .0086 .0006 .0029 .0013 |
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Nb .25326 .24187 .24647 .04 .0100 .0100 .0086 .0006 .0029 .0013 |
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Ti .25326 .24187 .24647 .03 .0100 .0100 .0086 .0006 .0029 .0013 |
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Si1 .7093 .0967 .1201 .0134 .0063 .0105 .0017 .0037 .0009 |
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Si2 .9462 .2067 .1363 .0119 .0117 .0091 -.0025 .0041 -.0015 |
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Si3 .4500 .2920 .1352 .0129 .0101 .0095 .0004 .0045 -.0008 |
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Si4 .2132 .3977 .1224 .0116 .0079 .0085 -.0006 .0029 .0006 |
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Si5 -.0007 .3037 .0011 .0123 .0102 .0067 .0007 .0030 .0002 |
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Ca 0 .3912 .25 .83 .0156 .0110 .0186 0 .0090 0 |
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Fe 0 .3912 .25 .08 .0156 .0110 .0186 0 .0090 0 |
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Zn 0 .3912 .25 .02 .0156 .0110 .0186 0 .0090 0 |
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Cu 0 .3912 .25 .01 .0156 .0110 .0186 0 .0090 0 |
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Mg 0 .3912 .25 .04 .0156 .0110 .0186 0 .0090 0 |
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Na1 .255 .0887 .0767 .25 .134 .051 .062 -.012 .044 -.007 |
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K1 .255 .0887 .0767 .25 .134 .051 .062 -.012 .044 -.007 |
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Na2 .0917 -.0064 .1967 .25 .055 .027 .138 -.006 .016 -.016 |
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K2 .0917 -.0064 .1967 .25 .055 .027 .138 -.006 .016 -.016 |
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Wat2 .0917 -.0064 .1967 .5 .055 .027 .138 -.006 .016 -.016 |
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O1 .8777 .2657 .1865 .018 .011 .011 -.002 .006 .0010 |
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O2 .6828 .1348 .1949 .019 .019 .015 -.005 .012 -.006 |
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O3 .5981 .3103 .1833 .013 .017 .020 -.001 .002 .000 |
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O4 .3651 .2268 .1723 .017 .011 .017 -.001 .007 .001 |
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O5 .1751 .3574 .1933 .012 .017 .012 .003 .009 .004 |
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O6 .0971 .1801 .1742 .012 .017 .017 .000 .004 -.004 |
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O7 .8596 .1185 .1157 .010 .014 .019 -.002 .006 -.004 |
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O8 .1248 .3584 .0453 .016 .020 .013 -.008 .000 -.002 |
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O9 .9340 .2535 .0567 .029 .021 .009 -.005 .006 .002 |
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O10 .6100 .1328 .0458 .022 .026 .014 .009 -.003 .006 |
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O11 .4515 .2602 .0524 .028 .021 .013 .002 .010 -.007 |
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O12 .3678 .3819 .1235 .014 .012 .018 -.002 .008 .000 |
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O13 .6927 -.0028 .1204 .012 .002 .033 .000 .008 .000 |
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Wat1 .855 .4330 .1339 .128 .043 .057 .013 -.030 .009 |
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Wat2 .5 .0408 .25 .054 .028 .050 0 .037 0 |
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Wat3 .047 .037 .094 .064 .065 .043 .041 .031 .011 |
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|
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View JMOL 3-D Structure
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Steacyite |
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Prichard P, Perrault G |
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Acta Crystallographica B28 (1972) 1994-1999 |
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Structure cristalline de l'ekanite de St-Hilaire, P.Q. |
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Locality: Mont St-Hilaire, Quebec, Canada |
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_database_code_amcsd 0018511 |
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7.58 7.58 14.77 90 90 90 P4/mcc |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 0 0 .60 .0085 .0085 .0027 0 0 0 |
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Na 0 .5 .25 .45 .0082 .0057 .0017 0 0 0 |
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Ca 0 .5 .25 .37 .0082 .0057 .0017 0 0 0 |
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Mn 0 .5 .25 .10 .0082 .0057 .0017 0 0 0 |
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Mg 0 .5 .25 .02 .0082 .0057 .0017 0 0 0 |
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Th 0 0 .25 .88 .0049 .0049 .0012 0 0 0 |
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Ce 0 0 .25 .03 .0049 .0049 .0012 0 0 0 |
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Pb 0 0 .25 .01 .0049 .0049 .0012 0 0 0 |
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Si .2605 .3360 .1073 .0049 .0047 .0012 -.0001 .0003 .0002 |
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O1 .2305 .3360 0 .0129 .0132 .0012 .0006 0 0 |
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O2 .4536 .2571 .1327 .0055 .0081 .0028 .0009 .0002 .0006 |
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O3 .1081 .2471 .1632 .0072 .0065 .0023 -.0003 .0013 .0016 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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