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Cl Co H4 O3 P |
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Marcos M, Ibanez R, Amoros P, Le Bail A |
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Acta Crystallographica C47 (1991) 1152-1155 |
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Layer structure of (CoCl(H2PO2))*H2O |
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_cod_database_code 1008495 |
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_database_code_amcsd 0016388 |
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7.416 13.082 9.483 90 90 90 Pbca |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co1 .11761 .50057 .14499 .0127 .0198 .0130 -.0011 -.0010 .0003 |
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P1 .22495 .15392 .38784 .0138 .0158 .0151 -.0004 .0005 .0000 |
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Cl1 .87924 .39750 .26525 .0169 .0205 .0186 .0009 .0028 .0002 |
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O1 .0858 .0871 .4626 .0133 .0214 .0152 .0018 .0003 -.0016 |
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O2 .6960 .0943 .4568 .0181 .0302 .0192 -.0023 -.0020 .0028 |
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O3 .3775 .0965 .3168 .0151 .0260 .0184 -.0051 .0024 -.0005 |
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H1 .285 .211 .478 |
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H2 .137 .212 .306 |
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H3 .577 .089 .432 |
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H4 .699 .098 .551 |
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Co H3 O4 P |
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Sapina F, Gomez-Romero P, Marcos M, Amoros P, Ibanez R, Beltran D, Navarro R, Rillo C, Lera F |
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European Journal of Solid State and Inorganic Chemistry 26 (1989) 603-617 |
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Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic |
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susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) |
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and crystal structure of Co H P O3 . H2 O |
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_cod_database_code 1009039 |
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_database_code_amcsd 0016900 |
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8.984 7.918 10.139 90 90 90 Pca2_1 |
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atom x y z |
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Co1 .09382 .1250 .08 |
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Co2 -.0952 -.1302 -.06374 |
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P1 .2465 -.2304 -.0232 |
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P2 .0921 .1325 -.2430 |
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O1 .0602 .3826 .1242 |
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O2 -.0654 -.3811 -.1089 |
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O3 .1128 -.1352 .0272 |
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O4 .2696 -.4014 .0402 |
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O5 -.1113 .1215 -.0153 |
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O6 .1862 .1521 -.1179 |
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O7 .3134 .1594 .1347 |
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O8 -.0061 .0368 .2540 |
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H1 .220 -.267 -.161 |
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H2 -.010 .280 -.252 |
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H3 .114 .46 .104 |
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H4 -.045 .404 .107 |
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H5 -.136 -.44 -.071 |
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H6 .059 .395 .314 |
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 1.5 K |
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_database_code_amcsd 0013255 |
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8.4989 8.4989 5.7973 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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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Bi .0817 -.0817 .75 .224 .00072 .00072 .00191 .00009 .00016 .00016 |
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Cu .25 .25 .0766 .305 .00077 .00077 .00349 0 0 0 |
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O .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006 |
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 30 K |
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_database_code_amcsd 0013256 |
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8.4988 8.4988 5.7976 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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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Bi .0817 -.0817 .75 .251 .00079 .00079 .00221 .00010 .00029 .00029 |
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Cu .25 .25 .0764 .312 .00083 .00083 .00340 0 0 0 |
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O .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003 .00014 .00012 |
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| Download AMC data (View Text File)
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 75 K |
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_database_code_amcsd 0013257 |
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8.4987 8.4987 5.7999 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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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Bi .0818 -.0818 .75 .316 .00101 .00101 .00270 .00010 .00011 .00011 |
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Cu .25 .25 .0765 .348 .00084 .00084 .00414 0 0 0 |
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O .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005 |
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| Download AMC data (View Text File)
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Kusachiite |
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Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
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Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
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Crystal and magnetic structures of Bi2CuO4 |
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Locality: synthetic |
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Sample: T = 290 K |
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_database_code_amcsd 0013258 |
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8.5039 8.5039 5.8202 90 90 90 *P4/ncc |
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.25 -.25 0 |
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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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Bi .0814 -.0814 .75 .736 .00227 .00227 .00660 .00015 .00014 .00014 |
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Cu .25 .25 .0770 .675 .00189 .00189 .00688 0 0 0 |
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O .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039 .00025 .00039 |
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| Download AMC data (View Text File)
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Ga4 Na Nd S8 |
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Ibanez R, Gravereau P, Garcia A, Fouassier C |
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Journal of Solid State Chemistry 73 (1988) 252-258 |
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Structural Study of NaNdGa4S8, a Luminescent Material with Low- |
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Concentration Quenching |
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_cod_database_code 1008350 |
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_database_code_amcsd 0016261 |
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20.122 20.143 12.142 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .125 .125 .125 .0107 .0048 .0102 0 0 0 |
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Nd2 .125 .125 .625 .0131 .0063 .0102 0 0 0 |
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Na1 .3785 .125 .125 .0193 .0318 .0351 0 0 -.0032 |
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Ga1 .7527 .4892 .1254 .0152 .0067 .0091 .0012 .0003 -.0007 |
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Ga2 .7496 .6952 .4140 .0153 .0065 .0079 -.0005 .0008 -.0005 |
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S1 .0041 .5933 .2514 .0179 .0055 .0120 -.0015 .0036 .0022 |
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S2 .75 .5821 .0156 .0176 .0047 .0058 .0006 .0001 .0001 |
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S3 .5850 .7474 .2446 .0123 .0093 .0103 .0034 .0017 -.0017 |
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S4 .9143 .4977 .9963 .0130 .0090 .0119 -.0005 .0020 .0003 |
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Ga4 Na Nd S8 |
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Ibanez R, Gravereau P, Garcia A, Fouassier C |
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Journal of Solid State Chemistry 73 (1988) 252-258 |
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Structural Study of Na Nd Ga4 S8, a Luminescent Material with Low- |
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Concentration Quenching |
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_cod_database_code 1008365 |
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_database_code_amcsd 0016275 |
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20.122 20.143 12.142 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .125 .125 .125 .0107 .0048 .0102 0 0 0 |
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Nd2 .125 .125 .625 .0131 .0063 .0102 0 0 0 |
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Na1 .3785 .125 .125 .0193 .0318 .0351 0 0 -.0032 |
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Ga1 .7527 .4892 .1254 .0152 .0067 .0091 .0012 .0003 -.0007 |
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Ga2 .7496 .6952 .4140 .0153 .0065 .0079 -.0005 .0008 -.0005 |
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S1 .0041 .5933 .2514 .0179 .0055 .0120 -.0015 .0036 .0022 |
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S2 .75 .5821 .0156 .0176 .0047 .0058 .0006 .0001 .0001 |
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S3 .5850 .7470 .2446 .0123 .0093 .0103 .0034 .0017 -.0017 |
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S4 .9143 .4977 .9963 .0130 .0090 .0119 -.0005 .0020 .0003 |
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| Download AMC data (View Text File)
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|
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Cu Li2 O2 |
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Sapina F, Rodriguez-Carvajal J, Sanchis M, Ibanez R, Beltran A, Beltran D |
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Solid State Communications 74 (1990) 779-784 |
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Crystal and magnetic structure of Li2 Cu O2 |
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_cod_database_code 1006072 |
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_database_code_amcsd 0015478 |
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3.65447 2.86022 9.3774 90 90 90 Immm |
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atom x y z |
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Li1 .5 0 .2869 |
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Cu1 0 .5 .5 |
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O1 0 0 .3577 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Cu Li2 O2 |
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Sapina F, Rodriguez-Carvajal J, Sanchis M, Ibanez R, Beltran A, Beltran D |
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Solid State Communications 74 (1990) 779-784 |
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Crystal and magnetic structure of Li2 Cu O2 |
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_cod_database_code 1006073 |
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_database_code_amcsd 0015479 |
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3.66153 2.86277 9.39258 90 90 90 Immm |
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atom x y z |
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Li1 .5 0 .2869 |
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Cu1 0 .5 .5 |
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O1 0 0 .3578 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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