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Byzantievite |
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Sokolova E, Hawthorne F C, Pautov L A, Agakhanov A A |
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Mineralogical Magazine 74 (2010) 285-308 |
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Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: |
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the crystal structure and crystal chemistry of the only known mineral with the |
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oxyanions (BO3), (SiO4) and (PO4) |
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Locality: Alai ridge, Tien-Shan Mountains, northern Tajikistan |
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_database_code_amcsd 0014601 |
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9.1202 9.1202 102.145 90 90 120 R3 |
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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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TiD(1) .8947 .5614 .98244 .70 .0261 .024 .019 .032 .007 .002 .005 |
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NbD(1) .8947 .5614 .98244 .30 .0261 .024 .019 .032 .007 .002 .005 |
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TiD(2) 0 0 .97553 .70 .0149 .013 .013 .018 .0067 0 0 |
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NbD(2) 0 0 .97553 .30 .0149 .013 .013 .018 .0067 0 0 |
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TiD(3) 0 0 .35890 .70 .0103 .015 .015 .000 .0077 0 0 |
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NbD(3) 0 0 .35890 .30 .0103 .015 .015 .000 .0077 0 0 |
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TiD(4) 0 0 .02562 .70 .0123 .017 .017 .003 .0086 0 0 |
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NbD(4) 0 0 .02562 .30 .0123 .017 .017 .003 .0086 0 0 |
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TiD(5) 0 0 .30898 .70 .0120 .010 .010 .017 .0048 0 0 |
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NbD(5) 0 0 .30898 .30 .0120 .010 .010 .017 .0048 0 0 |
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TiD(6) .8981 .5659 .01880 .70 .0160 .012 .016 .017 .0047 .0024 -.0021 |
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NbD(6) .8981 .5659 .01880 .30 .0160 .012 .016 .017 .0047 .0024 -.0021 |
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TiD(7) .3348 .3320 .85877 .46 .040 .022 .049 .050 .017 .014 .008 |
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NbD(7) .3348 .3320 .85877 .23 .040 .022 .049 .050 .017 .014 .008 |
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TiD(8) .9986 .6664 .80872 .46 .050 .033 .029 .079 .009 -.005 -.003 |
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NbD(8) .9986 .6664 .80872 .23 .050 .033 .029 .079 .009 -.005 -.003 |
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TiD(9) .1019 .0933 .18471 .12 .009 .000 .000 .000 -.020 -.033 -.026 |
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NbD(9) .1019 .0933 .18471 .05 .009 .000 .000 .000 -.020 -.033 -.026 |
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TiD(10) .5668 .3279 .18534 .12 .004 .020 .023 .000 .034 -.007 -.001 |
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NbD(10) .5668 .3279 .18534 .05 .004 .020 .023 .000 .034 -.007 -.001 |
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TiD(11) .3337 .5702 .18499 .12 .003 .019 .011 .000 .025 -.038 -.024 |
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NbD(11) .3337 .5702 .18499 .05 .003 .019 .011 .000 .025 -.038 -.024 |
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TiD(12) .10241 .0938 .14928 .12 .028 .018 .000 .011 -.037 .007 .005 |
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NbD(12) .10241 .0938 .14928 .05 .028 .018 .000 .011 -.037 .007 .005 |
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TiD(13) .5543 .3281 .14908 .12 .032 .000 .000 .08 -.015 .014 -.011 |
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NbD(13) .5543 .3281 .14908 .05 .032 .000 .000 .08 -.015 .014 -.011 |
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TiD(14) .3222 .5323 .15006 .12 .057 .000 .15 .016 .037 -.014 -.05 |
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NbD(14) .3222 .5323 .15006 .05 .057 .000 .15 .016 .037 -.014 -.05 |
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YM(1) 0 0 .06042 .50 .0232 .0201 .0201 .029 .0101 0 0 |
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CaM(1) 0 0 .06042 .25 .0232 .0201 .0201 .029 .0101 0 0 |
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CeM(1) 0 0 .06042 .12 .0232 .0201 .0201 .029 .0101 0 0 |
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LaM(1) 0 0 .06042 .05 .0232 .0201 .0201 .029 .0101 0 0 |
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NdM(1) 0 0 .06042 .04 .0232 .0201 .0201 .029 .0101 0 0 |
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DyM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
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GdM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
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PrM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
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SmM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
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CaM(2) .6655 .6320 .08415 .62 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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CeM(2) .6655 .6320 .08415 .17 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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LaM(2) .6655 .6320 .08415 .08 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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NdM(2) .6655 .6320 .08415 .06 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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DyM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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GdM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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PrM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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SmM(2) .6655 .6320 .08415 .01 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
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CaM(3) 0 0 .39375 .52 .0119 .0007 .0007 .034 .0003 0 0 |
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YM(3) 0 0 .39375 .25 .0119 .0007 .0007 .034 .0003 0 0 |
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CeM(3) 0 0 .39375 .12 .0119 .0007 .0007 .034 .0003 0 0 |
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LaM(3) 0 0 .39375 .04 .0119 .0007 .0007 .034 .0003 0 0 |
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NdM(3) 0 0 .39375 .03 .0119 .0007 .0007 .034 .0003 0 0 |
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DyM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
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GdM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
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PrM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
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SmM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
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YM(4) 0 0 .94121 .0149 .0168 .0168 .011 .0084 0 0 |
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CaM(5) .6667 .5789 .04567 .47 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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YM(5) .6667 .5789 .04567 .25 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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FeM(5) .6667 .5789 .04567 .07 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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CeM(5) .6667 .5789 .04567 .10 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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LaM(5) .6667 .5789 .04567 .04 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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NdM(5) .6667 .5789 .04567 .03 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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DyM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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GdM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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PrM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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SmM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
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CaM(6) .9122 .3332 .95584 .47 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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YM(6) .9122 .3332 .95584 .25 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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FeM(6) .9122 .3332 .95584 .07 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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CeM(6) .9122 .3332 .95584 .10 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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LaM(6) .9122 .3332 .95584 .04 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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NdM(6) .9122 .3332 .95584 .03 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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DyM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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GdM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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PrM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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SmM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
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CaM(7) .3682 .0322 .91743 .62 .0339 .036 .046 .011 .014 .0034 .0030 |
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CeM(7) .3682 .0322 .91743 .17 .0339 .036 .046 .011 .014 .0034 .0030 |
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LaM(7) .3682 .0322 .91743 .08 .0339 .036 .046 .011 .014 .0034 .0030 |
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NdM(7) .3682 .0322 .91743 .06 .0339 .036 .046 .011 .014 .0034 .0030 |
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DyM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
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GdM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
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PrM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
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SmM(7) .3682 .0322 .91743 .01 .0339 .036 .046 .011 .014 .0034 .0030 |
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CaM(8) 0 0 .27458 .44 .0156 .0175 .0175 .012 .0088 0 0 |
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YM(8) 0 0 .27458 .25 .0156 .0175 .0175 .012 .0088 0 0 |
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CeM(8) 0 0 .27458 .14 .0156 .0175 .0175 .012 .0088 0 0 |
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LaM(8) 0 0 .27458 .07 .0156 .0175 .0175 .012 .0088 0 0 |
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NdM(8) 0 0 .27458 .05 .0156 .0175 .0175 .012 .0088 0 0 |
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DyM(8) 0 0 .27458 .02 .0156 .0175 .0175 .012 .0088 0 0 |
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GdM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
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PrM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
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SmM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
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CaM(9) .9984 .6633 .10806 .21 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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SrM(9) .9984 .6633 .10806 .10 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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CeM(9) .9984 .6633 .10806 .11 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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LaM(9) .9984 .6633 .10806 .05 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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NdM(9) .9984 .6633 .10806 .04 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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DyM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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GdM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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PrM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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SmM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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CaM(10) .3382 .3364 .89368 .21 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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SrM(10) .3382 .3364 .89368 .22 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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CeM(10) .3382 .3364 .89368 .06 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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LaM(10) .3382 .3364 .89368 .03 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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NdM(10) .3382 .3364 .89368 .02 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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DyM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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GdM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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PrM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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SmM(10) .3382 .3364 .89368 .00 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
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Si(1) 0 0 .09745 .042 .034 .034 .057 .0171 0 0 |
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Si(2) 0 0 .90406 .042 .034 .034 .057 .0171 0 0 |
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Si(3) 0 0 .23833 .042 .034 .034 .057 .0171 0 0 |
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Si(4) 0 0 .43087 .042 .034 .034 .057 .0171 0 0 |
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PT(1) .9889 .6554 .07080 .52 .022 .009 .025 .023 .001 .007 -.003 |
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SiT(1) .9889 .6554 .07080 .11 .022 .009 .025 .023 .001 .007 -.003 |
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PT(2) .6635 .0060 .93081 .52 .009 .000 .010 .004 -.006 .010 -.011 |
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SiT(2) .6635 .0060 .93081 .11 .009 .000 .010 .004 -.006 .010 -.011 |
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BaA(1) .0718 .3330 .00070 .0213 .0186 .0205 .0254 .0102 -.0004 .0008 |
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BaA(2A) .4115 .0762 .83387 .22 .0202 .028 .029 .010 .019 -.011 .002 |
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BaA(2B) .2719 .9939 .83386 .22 .0202 .028 .029 .010 .019 -.011 .002 |
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BaA(2C) .3329 .9353 .83408 .22 .0202 .028 .029 .010 .019 -.011 .002 |
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B(1) .6695 .8968 .0394 .03 |
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B(2) .1062 .7737 .9632 .03 |
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B(3) 0 0 .7692 .03 |
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B(4) 0 0 .55946 .03 |
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B(5) 0 0 .48424 .167 .03 |
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B(6) 0 0 .14939 .167 .03 |
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B(7) 0 0 .81612 .167 .03 |
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B(8) 0 0 .5181 .167 .03 |
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B(9) 0 0 .18175 .167 .03 |
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B(10) 0 0 .84736 .167 .03 |
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O(1) 0 0 .08206 .02 |
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O(2) .1757 .040 .1045 .02 |
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O(3) 0 0 .91972 .02 |
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O(4) .1616 .004 .89763 .02 |
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O(5) .260 .786 .9607 .02 |
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O(6) .120 .929 .9612 .02 |
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O(7) .8117 .883 .0399 .02 |
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O(8) .5157 .1848 .1043 .02 |
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O(9) .953 .628 .9640 .02 |
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O(10) .669 .046 .0383 .02 |
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O(11) .529 .741 .0409 .02 |
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O(12) .847 .329 .0222 .02 |
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O(13) .7055 .1836 .65222 .02 |
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O(14) .1893 .1500 .98535 .02 |
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O(15) .145 .619 .0162 .02 |
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O(16) .860 .529 .00050 .02 |
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O(17) .1989 .146 .01582 .02 |
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O(18) .8551 .331 .97710 .02 |
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O(19) .655 .063 .91673 .67 .02 |
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OH(19) .655 .063 .91673 .33 .02 |
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O(20) .931 .598 .08500 .67 .02 |
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OH(20) .931 .598 .08500 .33 .02 |
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O(21) .5103 .983 .9389 .67 .02 |
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OH(21) .5103 .983 .9389 .33 .02 |
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O(22) .8373 .144 .0650 .67 .02 |
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OH(22) .8373 .144 .0650 .33 .02 |
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O(23) .1584 .8236 .0708 .67 .02 |
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OH(23) .1584 .8236 .0708 .33 .02 |
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O(24) .669 .8426 .9335 .67 .02 |
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OH(24) .669 .8426 .9335 .33 .02 |
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O(25) .296 .1668 .9375 .67 .02 |
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OH(25) .296 .1668 .9375 .33 .02 |
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O(26) .5078 .989 .06369 .67 .02 |
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OH(26) .5078 .989 .06369 .33 .02 |
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O(27) .965 .027 .25346 .33 .02 |
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O(28) .002 .944 .4160 .33 .02 |
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O(29) .1736 .013 .4354 .02 |
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O(30) .9864 .1562 .23292 .02 |
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O(31) .8590 .8631 .56455 .02 |
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OH(32) .1398 .1302 .18759 .50 .02 |
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O(32) .1398 .1302 .18759 .17 .02 |
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OH(33) .5190 .3361 .1823 .50 .02 |
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O(33) .5190 .3361 .1823 .17 .02 |
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OH(34) .2909 .5005 .1835 .50 .02 |
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O(34) .2909 .5005 .1835 .17 .02 |
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OH(35) .467 .534 .20374 .67 .02 |
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OH(36) .316 .184 .1272 .67 .02 |
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OH(37) .462 .522 .1293 .67 .02 |
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OH(38) .6510 .1785 .1520 .50 .02 |
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O(38) .6510 .1785 .1520 .17 .02 |
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OH(39) .329 .186 .20653 .67 .02 |
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OH(40) .8547 .0034 .15212 .50 .02 |
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O(40) .8547 .0034 .15212 .17 .02 |
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OH(41) .143 .299 .20370 .67 .02 |
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OH(42) .175 .333 .1257 .67 .02 |
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OH(43) .4008 .5633 .1493 .50 .02 |
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O(43) .4008 .5633 .1493 .17 .02 |
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OH(44) .5084 .317 .1855 .33 .02 |
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OH(45) .3233 .5400 .1474 .33 .02 |
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OH(46) .1429 .1623 .1503 .33 .02 |
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Wat(47) .3685 .5199 .16858 .17 .02 |
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Wat(48) .495 .318 .1660 .17 .02 |
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OH(49) .552 .373 .1471 .33 .02 |
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Wat(50) .132 .119 .16727 .17 .02 |
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OH(51) .3341 .5703 .20605 .17 .02 |
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OH(52) .56530 .3292 .20560 .17 .02 |
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OH(53) .0999 .095 .20626 .17 .02 |
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OH(54) .3248 .5335 .13048 .17 .02 |
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OH(55) .55690 .3217 .12805 .17 .02 |
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OH(56) .10573 .0962 .12971 .17 .02 |
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OH(57) .147 .3035 .1889 .17 .02 |
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OH(58) .491 .509 .1878 .17 .02 |
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OH(59) .306 .111 .1878 .17 .02 |
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OH(60) .151 .325 .1442 .17 .02 |
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OH(61) .519 .511 .1485 .17 .02 |
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OH(62) .3408 .163 .1458 .17 .02 |
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OH(63) .371 .523 .1856 .33 .02 |
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OH(64) .1414 .1692 .1833 .33 .02 |
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F(1) 0 0 .7171 .007 |
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F(2) 0 0 .6180 .013 |
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View JMOL 3-D Structure (permalink) |
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Total number of retrieved datasets: 