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Buchwaldite |
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Ben Amara M, Vlasse M, Le Flem G, Hagenmuller P |
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Acta Crystallographica C39 (1983) 1483-1485 |
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Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 |
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Locality: synthetic |
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_database_code_amcsd 0009985 |
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20.397 5.412 9.161 90 90 90 Pn2_1a |
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atom x y z Biso |
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Ca1 .0011 .26 .7011 .46 |
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Ca2 .1674 .2278 .7943 .55 |
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Ca3 .3356 .2051 .7023 .57 |
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Na1 .0559 .2624 .0719 1.14 |
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Na2 .2216 .2212 .4277 1.58 |
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Na3 .3920 .2368 .0704 1.02 |
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P1 .4071 .2539 .4144 .50 |
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P2 .2404 .2226 .0819 .36 |
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P3 .0762 .2238 .4097 .22 |
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O1 .3338 .2761 .4417 1.34 |
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O2 .4453 .2588 .5580 1.65 |
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O3 .4241 .0140 .3348 .93 |
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O4 .4289 .4769 .3190 .45 |
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O5 .1698 .2758 .0626 .80 |
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O6 .2750 .1705 .9330 1.11 |
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O7 .2531 .0093 .1886 1.21 |
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O8 .2717 .4650 .1547 1.43 |
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O9 .0011 .1720 .4434 1.35 |
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O10 .1071 .2686 .5625 1.28 |
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O11 .1039 .9974 .3441 1.39 |
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O12 .0836 .4553 .3156 .52 |
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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008577 |
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_database_code_amcsd 0016468 |
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8.9018 8.9018 22.2021 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .0454 -.0977 .0007 .1667 |
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Zr1 0 0 .1419 |
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P1 .2861 0 .25 |
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O1 .1839 -.0082 .1915 |
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O2 .1949 1/6 .0832 |
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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008578 |
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_database_code_amcsd 0016469 |
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8.892 8.892 22.190 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .046 -.093 0 .1667 |
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Zr1 0 0 .142 |
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P1 .286 0 .25 |
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O1 .187 -.009 .194 |
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O2 .198 .171 .085 |
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Cu0.5 O12 P3 Ti2 |
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Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J |
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Advanced Materials Research 1 (1994) 177-188 |
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The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 |
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and D0.5 Cu(I)0.5 Zr2 (P O4)3 |
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_cod_database_code 1008727 |
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_database_code_amcsd 0016608 |
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8.46 8.46 21.879990000 90 90 120 R-3 |
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atom x y z occ |
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Cu1 .431 .103 .3685 .167 |
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Ti1 0 0 .1452 |
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Ti2 0 0 .6421 |
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P1 .2863 .0023 .2508 |
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O1 .1783 -.0147 .1934 |
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O2 .7931 .9450 .6946 |
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O3 .2784 .8226 .2621 |
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O4 .5193 .8456 .7556 |
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Cu0.516 D0.36 O12 P3 Zr2 |
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Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J |
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Advanced Materials Research 1 (1994) 177-188 |
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The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 |
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and D0.5 Cu(I)0.5 Zr2 (P O4)3 |
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_cod_database_code 1008728 |
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_database_code_amcsd 0016609 |
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8.84 8.84 22.31 90 90 120 R-3c |
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atom x y z occ |
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Cu1 -.023 .121 .006 .086 |
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D1 .374 .502 .120 .060 |
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Zr1 0 0 .1408 |
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P1 .2825 0 .25 |
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O1 .1789 -.0198 .1956 |
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O2 .2007 .1721 .0881 |
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| Download AMC data (View Text File)
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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 337-346 |
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Evidence of copper pairing in Cu2^I^CrZr(PO4/4)3, a crystallographic study |
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_cod_database_code 1008543 |
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_database_code_amcsd 0016434 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
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| Download AMC data (View Text File)
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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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Journal of Alloys and Compounds 188 (1992) 113-116 |
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Structure of Cu^I^2CrZr(PO4)3 by powder neutron diffraction |
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_cod_database_code 1008589 |
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_database_code_amcsd 0016480 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
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| Download AMC data (View Text File)
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Fe Nd O4 Sr |
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Joubert J, Collomb A, Elmaleh D, le Flem G, Daoudi A, Ollivier G |
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Journal of Solid State Chemistry 2 (1970) 343-346 |
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Sur quelques nouveaux oxydes mixtes de strontium et d'elements de |
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transition du type K2 Ni F4 |
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_cod_database_code 1008939 |
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_database_code_amcsd 0016803 |
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3.846 3.846 12.594 90 90 90 I4/mmm |
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atom x y z occ |
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Fe1 0 0 0 |
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Sr1 0 0 .360 .5 |
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Nd1 0 0 .360 .5 |
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O1 0 .5 0 |
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O2 0 0 .172 |
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| Download AMC data (View Text File)
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Fe Nd O4 Sr |
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Joubert J, Collomb A, Elmaleh D, le Flem G, Daoudi A, Ollivier G |
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Journal of Solid State Chemistry 2 (1970) 343-346 |
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Sur quelques nouveaux oxydes mixtes de strontium et d'elements de |
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transition du type K2 Ni F4 |
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_cod_database_code 1008940 |
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_database_code_amcsd 0016804 |
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3.846 3.846 12.594 90 90 90 I4/mmm |
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atom x y z occ |
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Fe1 0 0 0 |
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Sr1 0 0 .359 .5 |
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Nd1 0 0 .359 .5 |
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O1 0 .5 0 |
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O2 0 0 .168 |
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| Download AMC data (View Text File)
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Fe La O4 Sr |
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Soubeyroux J, Courbin P, Fournes L, Fruchart D, le Flem G |
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Journal of Solid State Chemistry 31 (1980) 313-320 |
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La phase Sr La Fe O4: Structures cristalline et magnetique |
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_cod_database_code 1008053 |
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_database_code_amcsd 0015995 |
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3.885 3.885 12.784 90 90 90 I4/mmm |
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atom x y z occ |
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Sr1 0 0 .357 .5 |
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La1 0 0 .357 .5 |
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Fe1 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .1685 |
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| Download AMC data (View Text File)
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Fe La O4 Sr |
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Soubeyroux J, Courbin P, Fournes L, Fruchart D, le Flem G |
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Journal of Solid State Chemistry 31 (1980) 313-320 |
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La phase Sr La Fe O4: Structures cristalline et magnetique |
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_cod_database_code 1008054 |
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_database_code_amcsd 0015996 |
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3.878 3.878 12.723 90 90 90 I4/mmm |
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atom x y z occ |
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Sr1 0 0 .358 .5 |
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La1 0 0 .358 .5 |
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Fe1 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .1673 |
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| Download AMC data (View Text File)
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Mn O4 Sr2 |
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Bouloux J, Soubeyroux J, le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 38 (1981) 34-39 |
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Bidimensional Magnetic Properties of beta- Sr2 Mn O4 |
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_cod_database_code 1008125 |
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_database_code_amcsd 0016067 |
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3.787 3.787 12.496 90 90 90 I4/mmm |
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atom x y z |
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Sr1 0 0 .356 |
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Mn1 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .157 |
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| Download AMC data (View Text File)
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Mn O4 Sr2 |
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Bouloux J, Soubeyroux J, le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 38 (1981) 34-39 |
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Bidimensional Magnetic Properties of beta- Sr2 Mn O4 |
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_cod_database_code 1008126 |
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_database_code_amcsd 0016068 |
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3.787 3.787 12.496 90 90 90 I4/mmm |
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atom x y z |
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Sr1 0 0 .356 |
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Mn1 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .157 |
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| Download AMC data (View Text File)
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Ge2 Li O12 P3 |
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Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 90 (1991) 185-193 |
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Structure and thermal expansion of LiGe2(PO4)3 |
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_cod_database_code 1008510 |
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_database_code_amcsd 0016403 |
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8.275 8.275 20.47 90 90 120 R-3c |
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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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Li1 0 0 0 .0405 .0405 .0118 .0203 0 0 |
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Ge1 0 0 .14097 .0030 .0030 .0037 .0015 0 0 |
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P1 .2879 0 .25 .0026 .0034 .0049 .0013 .0006 .0012 |
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O1 .1802 -.0152 .1883 .0103 .0138 .0106 .0077 -.0045 .0006 |
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O2 .1845 .1593 .0821 .0052 .0065 .0081 -.0008 .0010 .0010 |
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| Download AMC data (View Text File)
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Ge2 Li O12 P3 |
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Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 90 (1991) 185-193 |
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Structure and thermal expansion of LiGe2(PO4)3 |
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_cod_database_code 1008511 |
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_database_code_amcsd 0016404 |
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8.2722 8.2722 20.4825 90 90 120 R-3c |
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atom x y z occ |
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Li1 .025 0 0 .1667 |
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Ge1 0 0 .1412 |
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P1 .2867 0 .25 |
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O1 .1786 .98278 .1888 |
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O2 .1849 .1595 .0829 |
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| Download AMC data (View Text File)
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|
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Ge2 Li O12 P3 |
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Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 90 (1991) 185-193 |
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Structure and thermal expansion of LiGe2(PO4)3 |
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_cod_database_code 1008512 |
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_database_code_amcsd 0016405 |
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8.2682 8.2682 20.494 90 90 120 R-3c |
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atom x y z occ |
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Li1 .025 0 0 .1667 |
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Ge1 0 0 .1403 |
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P1 .288 0 .25 |
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O1 .182 .985 .1894 |
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O2 .186 .160 .0826 |
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| Download AMC data (View Text File)
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|
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La0.5 Mn O4 Sr1.5 |
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Bouloux J, Soubeyroux J, Daoudi A, le Flem G |
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Materials Research Bulletin 16 (1981) 855-860 |
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Proprietes magnetiques de la phase Sr1.50 La0.50 Mn O4 |
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_cod_database_code 1008249 |
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_database_code_amcsd 0016171 |
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3.852 3.852 12.39 90 90 90 I4/mmm |
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atom x y z occ |
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Sr1 0 0 .358 .75 |
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La1 0 0 .358 .25 |
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Mn1 0 0 0 .5 |
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Mn2 0 0 0 .5 |
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O1 0 0 .16 |
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O2 0 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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La0.5 Mn O4 Sr1.5 |
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Bouloux J, Soubeyroux J, Daoudi A, le Flem G |
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Materials Research Bulletin 16 (1981) 855-860 |
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Proprietes magnetiques de la phase Sr1.50 La0.50 Mn O4 |
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_cod_database_code 1008250 |
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_database_code_amcsd 0016172 |
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3.853 3.853 12.39 90 90 90 I4/mmm |
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atom x y z occ |
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Sr1 0 0 .358 .75 |
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La1 0 0 .358 .25 |
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Mn1 0 0 0 .5 |
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Mn2 0 0 0 .5 |
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O1 0 0 .16 |
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O2 0 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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La0.5 Mn O4 Sr1.5 |
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Bouloux J, Soubeyroux J, Daoudi A, le Flem G |
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Materials Research Bulletin 16 (1981) 855-860 |
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Proprietes magnetiques de la phase Sr1.50 La0.50 Mn O4 |
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_cod_database_code 1008251 |
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_database_code_amcsd 0016173 |
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3.868 3.868 12.45 90 90 90 I4/mmm |
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atom x y z occ |
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Sr1 0 0 .357 .75 |
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La1 0 0 .357 .25 |
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Mn1 0 0 0 .5 |
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Mn2 0 0 0 .5 |
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O1 0 0 .159 |
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O2 0 .5 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Cu O12 P3 Ti2 |
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Mbandza A, Bordes E, Courtine P, El Jazouli A, Soubeyroux J, |
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Le Flem G, Hagenmueller P |
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Reactivity of Solids 5 (1988) 315-321 |
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The Nasicon-type copper(I) titanium phosphate CuTi2(PO4)3: |
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structure and chemical properties |
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_cod_database_code 1008453 |
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_database_code_amcsd 0016358 |
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8.5271 8.5271 21.320 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .024 -.079 0 .1667 |
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Ti1 0 0 .1421 |
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P1 .2878 0 .25 |
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O1 .1775 -.0152 .1914 |
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O2 .1928 .1652 .0857 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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