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SbTaO4 |
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Jeitschko W, Sleight A W |
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Acta Crystallographica B30 (1974) 2088-2094 |
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Alpha stannous tungstate: Properties, crystal structure and relationship to |
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ferroelectric SbTaO4 type compounds |
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_database_code_amcsd 0009511 |
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5.6270 11.6486 4.9973 90 90 90 Pnna |
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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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Sn .25 0 .2196 .00998 .00166 .00563 .00085 0 0 |
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W .6677 .25 .25 .00270 .00075 .00343 0 -.00030 0 |
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O1 .3765 .2987 .9988 .89 |
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O2 .1019 .3961 .6037 .64 |
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NiPS |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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_database_code_amcsd 0014007 |
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5.5386 5.5386 5.5386 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .0000 .0000 .0000 .00516 .00516 .00516 .00516 .00002 .00002 .00002 |
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P .6118 .6118 .6118 .0048 .0048 .0048 .0048 .0002 .0002 .0002 |
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S .3882 .3882 .3882 .0071 .0071 .0071 .0071 .0003 .0003 .0003 |
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Gersdorffite-P213 |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014008 |
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5.6888 5.6888 5.6888 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .9944 .9944 .9944 .0047 .0047 .0047 .0047 .0002 .0002 .0002 |
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As .6182 .6182 .6182 .0068 .0068 .0068 .0068 .0002 .0002 .0002 |
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S .3849 .3849 .3849 .0013 .0013 .0013 .0013 .0001 .0001 .0001 |
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Ullmannite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014009 |
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5.9341 5.9341 5.9341 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .98123 .98123 .98123 .00655 .00655 .00655 .00655 .00002 .00002 .00002 |
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Sb .62674 .62674 .62674 .00652 .00652 .00652 .00652 .00035 .00035 .00035 |
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S .38118 .38118 .38118 .0070 .0070 .0070 .0070 -.0001 -.0001 -.0001 |
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Jolliffeite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014010 |
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5.8469 5.8469 5.8469 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .0001 .0001 .0001 .0060 .0060 .0060 .0060 .0003 .0003 .0003 |
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As .6208 .6208 .6208 .0053 .0053 .0053 .0053 .0007 .0007 .0007 |
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Se .3789 .3789 .3789 .0069 .0069 .0069 .0069 .0006 .0006 .0006 |
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NiSbSe |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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_database_code_amcsd 0014011 |
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6.0868 6.0868 6.0868 90 90 90 P2_13 |
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atom x y z Uiso |
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Ni .9871 .9871 .9871 .0078 |
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Sb .6278 .6278 .6278 .0103 |
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Se .3784 .3784 .3784 .0204 |
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Hollingworthite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014012 |
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5.9507 5.9507 5.9507 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pd .9997 .9997 .9997 .0061 .0061 .0061 .0061 .0000 .0000 .0000 |
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As .6129 .6129 .6129 .0073 .0073 .0073 .0073 .0001 .0001 .0001 |
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S .3919 .3919 .3919 .0061 .0061 .0061 .0061 .0010 .0010 .0010 |
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Kalungaite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014013 |
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6.0948 6.0948 6.0948 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pd .99390 .99390 .99390 .00678 .00678 .00678 .00678 -.00006 -.00006 -.00006 |
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As .61403 .61403 .61403 .0061 .0061 .0061 .0061 .0005 .0005 .0005 |
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Se .38380 .38380 .38380 .0087 .0087 .0087 .0087 .0008 .0008 .0008 |
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Milotaite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014014 |
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6.3240 6.3240 6.3240 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pd .99618 .99618 .99618 .00766 .00766 .00766 .00766 -.00015 -.00015 -.00015 |
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Sb .62342 .62342 .62342 .0084 .0084 .0084 .0084 .0007 .0007 .0007 |
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Se .38203 .38203 .38203 .0087 .0087 .0087 .0087 .0006 .0006 .0006 |
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Testibiopalladite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014015 |
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6.5362 6.5362 6.5362 90 90 90 P2_13 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pd .99802 .99802 .99802 .0091 .0091 .0091 .0091 .0000 .0000 .0000 |
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Sb .62709 .62709 .62709 .0097 .0097 .0097 .0097 .0012 .0012 .0012 |
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Te .37278 .37278 .37278 .0114 .0114 .0114 .0114 .0010 .0010 .0010 |
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NiP1.86Se0.14 |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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_database_code_amcsd 0014016 |
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5.479 5.479 5.479 90 90 90 Pa3 |
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atom x y z occ Biso |
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Ni 0 0 0 .9 |
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P .3839 .3839 .3839 .93 .8 |
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Se .3839 .3839 .3839 .07 .8 |
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Penroseite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014017 |
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5.901 5.901 5.901 90 90 90 Pa3 |
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atom x y z occ Biso |
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Ni 0 0 0 .8 |
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P .3844 .3844 .3844 .12 .46 |
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Se .3844 .3844 .3844 .88 .46 |
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Hexatestibiopanickelite |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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Locality: synthetic |
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_database_code_amcsd 0014018 |
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3.9158 3.9158 5.2011 90 90 120 P6_3/mmc |
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atom x y z occ Uiso |
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Ni 0 0 0 .766 .0088 |
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Sb 1/3 2/3 .25 .50 .0092 |
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Te 1/3 2/3 .25 .50 .0092 |
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PdPSe |
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Foecker A J, Jeitschko W |
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Journal of Solid State Chemistry 162 (2001) 69-78 |
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The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary |
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compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) |
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_database_code_amcsd 0014019 |
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13.594 5.8317 5.8583 90 90 90 Pbcn |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pd .38939 .2410 .1538 .0078 .0139 .0052 .0044 .0014 .0007 -.0002 |
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P .0791 .3757 .2850 .0081 .0111 .0068 .0063 -.0004 .0001 -.0004 |
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Se .15643 .1342 .0389 .0079 .0126 .0057 .0054 .0017 .0002 -.0000 |
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