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Hydrocerussite |
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Martinetto P, Anne M, Dooryhee E, Walter P, Tsoucaris G |
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Acta Crystallographica C58 (2002) i82-i84 |
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Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction |
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Locality: synthetic |
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_database_code_amcsd 0010324 |
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5.2465 5.2465 23.702 90 90 120 R-3m |
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atom x y z occ Uiso |
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Pb1 0 0 .21510 .0172 |
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Pb2 .9158 -.9158 .0016 1/6 .0215 |
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C 0 0 .4304 .028 |
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O1 .8568 -.8568 .4318 .028 |
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OH2 -.293 .293 .0200 1/3 .010 |
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D1.64 Mo O3 |
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Anne M, Fruchart D, Derdour S, Tinet D |
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Journal de Physique (Paris) 49 (1988) 505-509 |
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Structure of D1.65 Mo O3 by neutron diffraction |
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_cod_database_code 1008556 |
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_database_code_amcsd 0016447 |
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13.986 3.780 4.065 90 93.99 90 C2/m |
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atom x y z occ |
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Mo1 .106 0 .265 |
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O1 .249 0 .299 |
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O2 .614 0 .275 |
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O3 .917 0 .233 |
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D1 .242 .32 .914 .82 |
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Ba S3 V |
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Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F |
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Journal of Physics C: Solid State Physics 19 (1986) 6489-6503 |
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Powder neutron diffraction studies of the low-temperature phase |
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transitions in stoichiometric Ba V S3 |
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_cod_database_code 1008374 |
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_database_code_amcsd 0016284 |
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6.7572 11.4866 5.5994 90 90 90 Cmcm |
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atom x y z |
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Ba1 0 .3364 .25 |
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V1 0 0 0 |
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S1 0 .8303 .25 |
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S2 .2436 .0835 .25 |
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Ba S3 V |
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Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F |
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Journal of Physics C: Solid State Physics 19 (1986) 6489-6503 |
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Powder neutron diffraction studies of the low-temperature phase |
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transitions in stoichiometric Ba V S3 |
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_cod_database_code 1008375 |
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_database_code_amcsd 0016285 |
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6.7572 11.4866 5.5994 90 90 90 Cmc2_1 |
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atom x y z |
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Ba1 0 .3364 .25 |
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V1 0 .021 -.001 |
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S1 0 .8302 .237 |
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S2 .2442 .0834 .258 |
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Ba S3 V |
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Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F |
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Journal of Physics C: Solid State Physics 19 (1986) 6489-6503 |
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Powder neutron diffraction studies of the low-temperature phase |
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transitions in stoichiometric Ba V S3 |
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_cod_database_code 1008376 |
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_database_code_amcsd 0016286 |
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6.7572 11.4866 5.5994 90 90 90 C222_1 |
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atom x y z |
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Ba1 0 .3363 .25 |
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V1 -.012 0 0 |
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S1 0 .8303 .25 |
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S2 .2442 .0835 .2613 |
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Ba S3 V |
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Ghedira M, Anne M, Chenavas J, Marezio M, Sayetat F |
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Journal of Physics C: Solid State Physics 19 (1986) 6489-6503 |
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Powder neutron diffraction studies of the low-temperature phase |
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transitions in stoichiometric Ba V S3 |
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_cod_database_code 1008377 |
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_database_code_amcsd 0016287 |
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6.7192 6.7192 5.6188 90 90 120 P6_3/mmc |
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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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S1 .1655 .331 .25 .0192 .0139 .0251 .0080 0 0 |
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V1 0 0 0 .0565 .0565 .0067 .0283 0 0 |
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Ba1 1/3 2/3 .25 .0223 .0223 .0272 .0111 0 0 |
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Fe6.5 O35 V11.5 |
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Grey I, Anne M, Collomb A, Muller J, Marezio M |
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Journal of Solid State Chemistry 37 (1981) 219-227 |
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The Crystal Structure of a New Mixed Oxide of Iron and Vanadium, (FeV)18O35 |
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_cod_database_code 1008121 |
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_database_code_amcsd 0016063 |
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10.209 9.387 6.564 100.52 94.35 98.85 P-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .38198 .00505 .34189 .8 .0065 .0066 .0064 .0011 .0002 .0011 |
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V1 .38198 .00505 .34189 .2 .0065 .0066 .0064 .0011 .0002 .0011 |
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Fe2 .41738 .30556 .20229 .8 .0113 .0062 .0058 .0006 .0000 .0016 |
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V2 .41738 .30556 .20229 .2 .0113 .0062 .0058 .0006 .0000 .0016 |
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V3 .70031 .00284 .16619 .0060 .0065 .0056 .0011 .0009 .0006 |
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V4 .50781 .68489 .29032 .0063 .0061 .0055 .0020 .0010 .0010 |
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V5 .10557 .30164 .38373 .0069 .0059 .0048 .0013 .0010 .0005 |
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Fe3 .01298 .93745 .25177 .5 .0091 .0106 .0541 .0025 .0000 -.0082 |
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V6 .01298 .93745 .25177 .5 .0091 .0106 .0541 .0025 .0000 -.0082 |
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Fe4 .81805 .64649 .09079 .8 .00740 .0082 .0072 .0011 .0005 .0018 |
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V7 .81805 .64649 .09079 .2 .0074 .0082 .0072 .0011 .0005 .0018 |
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Fe5 .78192 .37963 .27240 .35 .0143 .0044 .0050 .0014 .0013 .0006 |
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V8 .78192 .37963 .27240 .65 .0141 .0044 .0050 .0014 .0013 .0006 |
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V9 .18551 .71694 .21951 .0067 .0063 .0061 .0015 .0011 .0014 |
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O1 0 0 0 .01640 .0129 .0108 .0014 .0016 .0057 |
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O2 .4315 .5232 .3132 .0126 .0093 .0134 .0024 .0029 .0010 |
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O3 .0024 .7301 .1513 .0068 .0075 .0107 .0009 .0005 -.0012 |
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O4 .6064 .3418 .2416 .0205 .0156 .0193 .0092 .0090 .0064 |
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O5 .9879 .3871 .3109 .0102 .0104 .0107 .0037 .0008 .0013 |
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O6 .8084 .5950 .3788 .0115 .0074 .0061 .0010 .0008 -.0008 |
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O7 .4046 .2252 .4674 .0120 .0073 .0104 .0036 .0006 .0024 |
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O8 .1927 .6512 .4332 .0144 .0119 .0092 .002 .0015 .0027 |
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O9 .3860 .0807 .0776 .0115 .0088 .0092 .0007 .0007 .0020 |
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O10 .3840 .7852 .2255 .0082 .0065 .0097 .0007 .0003 .0003 |
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O11 .1923 .5625 .9919 .0102 .007 .0078 .0019 .0013 .0014 |
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O12 .7808 .1679 .1474 .0114 .0076 .0150 .0002 .0031 .0002 |
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O13 .1974 .9274 .3016 .0059 .0074 .0130 .0002 -.0005 .0002 |
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O14 .0327 .1318 .4300 .0116 .0084 .0087 .0010 .0016 .0002 |
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O15 .8128 .8962 .2263 .0091 .0125 .0125 .0028 .0000 .0049 |
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O16 .6127 .6631 .0936 .0103 .0126 .0064 .0022 .0016 .0023 |
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O17 .5875 .0171 .3575 .0081 .0114 .0078 .0010 .0009 .0028 |
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O18 .2113 .2951 .1843 .0094 .0131 .0064 .0043 .0002 .0018 |
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Ba1.14 K0.72 S4 V |
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Vincent H, Anne M, Chang A, Marcus J |
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Journal of Solid State Chemistry 61 (1986) 332-337 |
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Synthese et structure cristalline de Ba1.14 K.72 V S4 |
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_cod_database_code 1008319 |
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_database_code_amcsd 0016234 |
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9.158 12.144 6.729 90 90 90 Pna2_1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .02618 .33022 .25 .0163 .0158 .0255 .0015 .0055 .0065 |
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K1 .3585 .5954 .2560 .72 .0257 .0553 .0314 -.0078 .0015 .0032 |
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Ba2 .3585 .5954 .2560 .14 .0257 .0553 .0314 -.0078 .0015 .0032 |
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V1 .76319 .57831 .2548 .0127 .0145 .0157 .0009 .0042 .0033 |
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S1 -.0016 .5950 .2468 .0144 .0219 .0322 -.0029 .0013 .0065 |
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S2 .1971 .0921 .2458 .0196 .0170 .0313 .0039 -.0008 .0111 |
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S3 .3291 .3439 .0053 .0148 .0344 .0255 .0080 .0006 .0126 |
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S4 .1758 .8431 -.0014 .0436 .0457 .0216 -.0116 -.0002 -.0136 |
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Fe10.99 Na2.4 O16.03 |
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Vincent H, Bekka A, Anne M, Joubert J |
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Journal of Solid State Chemistry 81 (1989) 181-191 |
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Synthese, structure cristalline,conductivite ionique, et proprietes |
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magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17 |
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_cod_database_code 1008437 |
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_database_code_amcsd 0016343 |
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5.947 5.947 35.83 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .16889 -.16889 -.06991 .0050 .0050 .0018 .0027 .0003 -.0003 |
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Fe2 0 0 .35041 .999 .0047 .0047 .0005 .0024 0 0 |
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Fe3 0 0 .44982 .0054 .0054 .0001 .0027 0 0 |
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Fe4 0 0 0 .99 .0051 .0051 .0001 .0026 0 0 |
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O1 .15604 -.15604 .03389 .92 .0047 .0047 .0001 .0013 -.0008 .0008 |
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O2 .16404 -.16404 .23599 .95 .0045 .0045 .0032 .0024 .0009 -.0009 |
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O3 0 0 .29639 .987 .0055 .0055 .0030 .0028 0 0 |
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O4 0 0 .09588 .918 .0040 .0040 .0015 .0020 0 0 |
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O5 0 0 .5 .0423 .0423 .0024 .0212 0 0 |
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Na1 .700 -.700 .1635 .40 .1298 .1298 .0295 -.0856 .0502 -.0502 |
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Fe9.96 H2.47 Na1.61 O17.97 Zn0.99 |
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Nicolopoulos S, Vincent H, Anne M, Joubert J |
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Journal of Solid State Chemistry 87 (1990) 298-307 |
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Variation in crystal structure, ionic conductivity and magnetic |
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properties with the water uptake of a new hydrated sodium beta ferrite |
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_cod_database_code 1008479 |
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_database_code_amcsd 0016379 |
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5.9401 5.9401 35.731 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .16949 .83051 .93028 .999 .00446 .00446 .00607 .00231 .00031 -.00031 |
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Fe2 0 0 .35066 .495 .00386 .00386 .00315 .00193 0 0 |
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Fe3 0 0 .44981 .990 .00431 .00431 .00257 .00216 0 0 |
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Fe4 0 0 0 .996 .00399 .00399 .00254 .00199 0 0 |
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O1 .15482 .84518 .03398 .984 .00923 .00923 .00387 .00477 -.00038 .00038 |
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O2 .16413 .83587 .23612 .984 .00530 .00530 .00584 .00248 .00124 -.00124 |
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O3 0 0 .29680 .990 .00063 .00063 .00791 .00032 0 0 |
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O4 0 0 .09631 .990 .00803 .00803 .00775 .00402 0 0 |
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O5 .02269 .97731 .49851 .237 |
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O6 .5 .5 .5 .160 |
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O7 .7332 .2668 .16322 .050 |
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Na1 .7538 .2462 .16740 .118 |
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Na2 0 0 .17254 .450 |
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Zn1 0 0 .35066 .495 .00386 .00386 .00315 .00193 0 0 |
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Li1.12 Mn1.88 O4 |
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Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
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Journal of Solid State Chemistry 135 (1998) 132-139 |
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Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
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diffraction study |
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_cod_database_code 1009062 |
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_database_code_amcsd 0016923 |
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8.2232 8.2232 8.2232 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Li1 .125 .125 .125 |
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Li2 .5 .5 .5 .06 |
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Mn1 .5 .5 .5 .94 |
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O1 .2633 .2633 .2633 |
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Li1.08 Mn1.98 O4 |
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Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
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Journal of Solid State Chemistry 135 (1998) 132-139 |
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Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
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diffraction study |
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_cod_database_code 1009063 |
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_database_code_amcsd 0016924 |
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8.2449 8.2449 8.2449 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Li1 .125 .125 .125 |
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Mn1 .5 .5 .5 .99 |
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O1 .2632 .2632 .2632 |
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Li0.89 Mn2 O3.84 |
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Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
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Journal of Solid State Chemistry 135 (1998) 132-139 |
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Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
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diffraction study |
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_cod_database_code 1009064 |
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_database_code_amcsd 0016925 |
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5.7396 5.7396 8.6709 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ |
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Li1 0 .75 .125 .89 |
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Mn1 0 0 .5 |
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O1 0 .4734 .2608 .96 |
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Li1.198 Mn1.802 O3.972 |
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Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
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Journal of Solid State Chemistry 135 (1998) 132-139 |
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Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
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diffraction study |
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_cod_database_code 1009065 |
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_database_code_amcsd 0016926 |
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8.1491 8.1491 8.1491 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Li1 .125 .125 .125 |
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Li2 .5 .5 .5 .099 |
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Mn1 .5 .5 .5 .901 |
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O1 .26251 .26251 .26251 .993 |
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Li1.288 Mn1.716 O3.732 |
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Strobel P, Le Cras F, Seguin L, Anne M, Tarascon J |
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Journal of Solid State Chemistry 135 (1998) 132-139 |
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Oxygen nonstoichiometry in Li-Mn-O spinel oxides: a powder neutron |
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diffraction study |
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_cod_database_code 1009066 |
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_database_code_amcsd 0016927 |
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8.1634 8.1634 8.1634 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Li1 .125 .125 .125 |
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Li2 .5 .5 .5 .144 |
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Mn1 .5 .5 .5 .858 |
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O1 .26251 .26251 .26251 .933 |
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| Download AMC data (View Text File)
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Bi4 Co0.3 O10.547 V1.7 |
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Muller C, Anne M, Bacmann M |
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Solid State Ionics 111 (1998) 27-36 |
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Lattice vibrations and order-disorder transition in the oxide |
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anionconductor BICOVOX.15: a neutron thermodiffractometry study |
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_cod_database_code 1008881 |
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_database_code_amcsd 0016748 |
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3.92 3.92 15.5 90 90 90 I4/mmm |
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atom x y z occ |
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Bi1 0 0 .1684 |
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V1 0 0 .5 .8501 |
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Co1 0 0 .5 .1499 |
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O1 0 .5 .25 |
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O2 0 .179 .4023 .25 |
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O3 0 .425 .0341 .1592 |
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| Download AMC data (View Text File)
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