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Volborthite |
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Ishikawa H, Yamaura J, Okamoto Y, Yoshida H, Nilsen G J, Hiroi Z |
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Acta Crystallographica C68 (2012) i41-i44 |
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A novel crystal polymorph of volborthite, Cu3V2O7(OH)2*2H2O |
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Note: this is a polymorph of volborthite |
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Locality: synthetic |
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_database_code_amcsd 0019133 |
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10.6118 5.8708 14.4181 90 95.0290 90 C2/c |
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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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Cu1 0 0 0 .0092 .0076 .0091 .0111 -.00098 .0012 -.00276 |
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Cu21 .25 .25 0 .00895 .0087 .0066 .0110 -.00067 -.0023 -.00043 |
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Cu22 .25 .75 0 .0097 .0095 .0067 .0121 .00068 -.0037 -.00037 |
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V -.00334 .47640 .12693 .00689 .0073 .0082 .0050 -.00026 -.0004 -.00033 |
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O1 0 .4518 .25 .0193 .022 .0276 .0086 0 .0018 0 |
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O2 .3421 .4987 .05851 .0089 .0086 .0085 .0095 -.0007 .0004 -.0004 |
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H2 .3499 .4984 .1267 .011 |
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O4 .1583 .5054 -.07583 .0116 .0104 .0109 .0129 .0002 -.0021 -.0001 |
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Wat5 .3238 .4842 .2392 .0445 .057 .061 .0148 .0009 -.0015 .0009 |
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O31 .0697 .2436 .08605 .0131 .0118 .0138 .0135 .0009 .0002 -.0025 |
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O32 .0757 .7067 .10121 .0140 .0134 .0138 .0142 -.0016 -.0015 .0008 |
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Volborthite |
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Kashaev A A, Bakakin V V |
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Doklady Akademii Nauk SSSR 181 (1968) 967-969 |
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Crystal structure of volborthite Cu3(OH)2V2O7*2H2O |
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_database_code_amcsd 0018666 |
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10.60 5.86 7.21 90 95.08 90 C2/m |
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atom x y z Biso |
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Cu1 0 0 0 1.4 |
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Cu2 .25 .25 0 1.4 |
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V .496 0 .256 1.4 |
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O1 0 .5 .5 1.4 |
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O2 .081 .25 .178 1.4 |
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O3 .345 0 .149 1.4 |
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OH .154 0 .848 1.4 |
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Wat .16 0 .45 1.4 |
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Volborthite |
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Lafontaine M A, LeBail A, Ferey G |
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Journal of Solid State Chemistry 85 (1990) 220-227 |
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Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog |
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of volborthite; crystal structure determination from X-ray and neutron data; |
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structural correlations |
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Note: neutron data on a synthetic sample |
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_database_code_amcsd 0013677 |
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10.607 5.864 7.214 90 94.88 90 C2/m |
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atom x y z Biso |
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Cu1 0 0 0 1.02 |
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Cu2 .25 .25 0 1.02 |
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V .9959 .5 .2516 .55 |
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O1 0 .5 .5 1.5 |
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O2 .3428 .5 .1095 1.5 |
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O3 .0756 .2635 .1864 1.5 |
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O4 .1622 .5 .8381 1.5 |
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Ow .3223 .5 .4894 1.5 |
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H1 .3501 .5 .2376 5.7 |
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H2 .3536 .3714 .5639 5.7 |
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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 (permalink) |
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Volborthite |
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Lafontaine M A, LeBail A, Ferey G |
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Journal of Solid State Chemistry 85 (1990) 220-227 |
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Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog |
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of volborthite; crystal structure determination from X-ray and neutron data; |
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structural correlations |
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Note: X-ray data on a synthetic sample |
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_database_code_amcsd 0013678 |
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10.606 5.874 7.213 90 94.90 90 C2/m |
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atom x y z Biso |
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Cu1 0 0 0 .69 |
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Cu2 .25 .25 0 1.81 |
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V .9959 .5 .2516 .55 |
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O1 0 .5 .5 4.27 |
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O2 .3424 .5 .1143 1.55 |
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O3 .0682 .2721 .1846 1.82 |
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O4 .1548 .5 .8464 2.02 |
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Ow .3261 .5 .4788 4.71 |
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H .3501 .5 .2376 5.7 |
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H .3536 .3714 .5639 5.7 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Volborthite |
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Kashaev A A, Rozhdestvenskaya I V, Bannova I I, Sapozhnikov A N, Glebova O D |
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Journal of Structural Chemistry 49 (2008) 708-711 |
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Balance, uniformity, and asymmetry of the structure of volborthite |
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Cu3(OH)2(V2O7)*2H2O |
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Locality: not given |
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_database_code_amcsd 0018692 |
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10.646 5.867 14.432 90 95.19 90 Ia |
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atom x y z Uiso |
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Cu1 0 .7492 0 .0076 |
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Cu2 .24954 0 .49886 .0063 |
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Cu3 .24380 .4905 .50135 .0088 |
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V1 .00232 .2738 .87181 .0061 |
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V2 .49457 .7720 .12562 .0061 |
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O1 .5705 .0098 .0878 .0087 |
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O2 -.0678 .5021 .9140 .0140 |
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O3 .3389 .7459 .5761 .0066 |
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O4 .1558 .2439 .4252 .0133 |
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O5 .0772 .4606 .0997 .0136 |
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O6 .4262 .9532 .8983 .0114 |
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O7 .5011 .7960 .2483 .0195 |
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O-H1 .1585 .7517 .9391 .0098 |
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O-H2 .3438 .2534 .0561 .0046 |
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OW1 .3193 .2295 .7375 .032 |
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OW2 .1688 .7522 .2586 .050 |
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H1 .661 .247 .379 .017 |
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H2 .352 .242 .138 .018 |
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H3 .857 .848 .289 .084 |
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H4 .808 .865 .781 .038 |
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H5 .625 .167 .201 .063 |
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H6 .170 .620 .215 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Volborthite |
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Yoshida H, Yamaura J, Isobe M, Nilsen G J, Hiroi Z |
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Nature Communications 3 (2012) 8601-8605 |
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Orbital switching in a frustrated magnet |
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T = 150 K |
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Locality: synthetic |
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_database_code_amcsd 0019037 |
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10.6418 5.8485 14.4157 90 95.443 90 I2/a |
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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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Cu1 .25 .25 .25 .004 .00334 .00405 .00611 -.00049 .00081 -.00122 |
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Cu2 -.00323 .49489 .25143 .00464 .00430 .00285 .00643 .00041 -.00127 -.00017 |
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V .24661 .72632 .37680 .00362 .00372 .00388 .00318 .00005 -.00002 -.00006 |
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O1 .25 .7018 .5 .01 .0128 .0148 .0046 0 .0001 0 |
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O2 .09314 .2470 .30893 .00490 .0047 .0047 .0052 .0001 .0002 -.0002 |
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O31 .32561 -.0423 .35102 .0082 .0080 .0067 .0098 -.0017 .0000 .0010 |
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O32 .32022 .4918 .33660 .007 .0059 .0065 .0081 .0003 .0005 -.0018 |
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O4 .09137 .7443 .32496 .006 .0054 .0055 .0071 -.0001 -.0011 .0001 |
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Wat5 .4279 .2378 .5103 .0259 .0305 .0387 .0081 .0046 .0001 .0008 |
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H .1016 .2447 .3772 .0076 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Volborthite |
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Yoshida H, Yamaura J, Isobe M, Nilsen G J, Hiroi Z |
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Nature Communications 3 (2012) 8601-8605 |
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T = 323 K |
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Locality: synthetic |
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_database_code_amcsd 0019038 |
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10.657 5.887 7.228 90 95.035 90 C2/m |
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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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Cu1 0 0 0 .0123 .0114 .0076 .0185 0 .0037 0 |
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Cu2 .25 .25 0 .01265 .0127 .0054 .0195 -.0008 -.0008 .0001 |
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V -.00337 .5 .25375 .0168 .0113 .0270 .0122 0 .0023 0 |
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O1 0 .5 .5 .043 .020 .099 .010 0 .004 0 |
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O2 .3422 .5 .1168 .0112 .0125 .0028 .0186 0 .0024 0 |
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O3 .0723 .2699 .1866 .0296 .0197 .0326 .0372 .0057 .0069 .0172 |
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O4 .3416 0 .1524 .0148 .0164 .0078 .0200 0 .0009 0 |
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Wat5 .1758 0 .5205 .0525 .072 .064 .022 0 .004 0 |
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H .3500 .5 .2529 .0134 |
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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 (permalink) |
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Volborthite |
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Basso R, Palenzona A, Zefiro L |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 385-394 |
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Crystal structure refinement of volborthite from Scrava mine |
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(Eastern Liguria, Italy) |
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Note: split O1 and O5 atoms |
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Locality: Scrava mine, Eastern Liguria, Italy |
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_database_code_amcsd 0018693 |
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10.610 5.866 7.208 90 95.04 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu(1) 0 0 0 .73 |
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Cu(2) .25 .25 0 .76 |
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V .4965 0 .2539 1.14 |
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O(1) 0 .5473 .5 .5 1.17 .0064 .0128 .0031 0 .0004 0 |
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O(2) .0731 .2674 .1883 2.00 |
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O(3) .3416 0 .1532 .92 |
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O(4) .1577 0 .8814 .64 |
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O(5) .1773 .0311 .5187 .5 2.65 .0086 .0168 .0085 .0035 .0001 -.0038 |
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H(4) .151 0 .741 |
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H(5)A .098 0 .432 |
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H(5)B .260 0 .508 |
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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 (permalink) |
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