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【求助】紧急求助Ca3Co4O9的ICSD数据 已有4人参与
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| 哪位热心朋友帮忙查下Ca3Co4O9的ICSD数据，我在04版的ICSD数据库中没有查到，先谢谢了啊呵呵 |
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★ ★ ★
wsht212(金币+3):多谢交流 2010-05-05 11:15:57
wholelife(金币+1): 2010-05-05 17:41:16
wsht212(金币+3):多谢交流 2010-05-05 11:15:57
wholelife(金币+1): 2010-05-05 17:41:16
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*data for ICSD #82173 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 82173 Rec Date 1999/11/30 Mod Date 2006/04/01 Chem Name Tricalcium Catena-dicobaltate Structured Ca3 (Co2 O6) Sum Ca3 Co2 O6 ANX ABC3X6 D(calc) 4.51 Title Crystal structure and possible charge ordering in one-dimensional Ca3 Co2 O6 Author(s) Fjellvag, H.;Gulbrandsen, E.;Aasland, S.;Olsen, A.;Hauback, B.C. Reference Journal of Solid State Chemistry (1996), 124, 190-194 Unit Cell 9.061(1) 9.061(1) 10.367(1) 90. 90. 120. Vol 737.12 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a R Value .038 Red Cell RH 6.269 6.269 6.269 92.539 92.539 92.539 245.705 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-0628 The structure has been assigned a PDF number (experimental powder diffraction data): 23-111 Rietveld profile refinement applied Temperature in Kelvin: 40 Structure type : K4CdCl6 At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3690(4) 0 0.25 1. 0 Co 1 +4 6 b 0 0 0 1. 0 Co 2 +2 6 a 0 0 0.25 1. 0 O 1 -2 36 f 0.1764(2) 0.0227(3) 0.1140(2) 1. 0 *end for ICSD #82173 *data for ICSD #82174 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 82174 Rec Date 1999/11/30 Chem Name Tricalcium Catena-dicobaltate Structured Ca3 (Co2 O6) Sum Ca3 Co2 O6 ANX ABC3X6 D(calc) 4.48 Title Crystal structure and possible charge ordering in one-dimensional Ca3 Co2 O6 Author(s) Fjellvag, H.;Gulbrandsen, E.;Aasland, S.;Olsen, A.;Hauback, B.C. Reference Journal of Solid State Chemistry (1996), 124, 190-194 Unit Cell 9.087(1) 9.087(1) 10.3891(6) 90. 90. 120. Vol 742.93 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a R Value .03 Red Cell RH 6.286 6.286 6.286 92.566 92.566 92.566 247.644 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-0629 Rietveld profile refinement applied Temperature in Kelvin: 298 Structure type : K4CdCl6 At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3690(2) 0 0.25 1. 0 Co 1 +4 6 b 0 0 0 1. 0 Co 2 +2 6 a 0 0 0.25 1. 0 O 1 -2 36 f 0.1767(2) 0.0238(2) 0.1138(1) 1. 0 *end for ICSD #82174 *data for ICSD #82175 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 82175 Rec Date 1999/11/30 Mod Date 2006/04/01 Chem Name Tricalcium Catena-dicobaltate Structured Ca3 (Co2 O6) Sum Ca3 Co2 O6 ANX ABC3X6 D(calc) 4.49 Title Crystal structure and possible charge ordering in one-dimensional Ca3 Co2 O6 Author(s) Fjellvag, H.;Gulbrandsen, E.;Aasland, S.;Olsen, A.;Hauback, B.C. Reference Journal of Solid State Chemistry (1996), 124, 190-194 Unit Cell 9.0793(7) 9.0793(7) 10.381(1) 90. 90. 120. Vol 741.1 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a R Value .013 Red Cell RH 6.281 6.281 6.281 92.564 92.564 92.564 247.032 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-0630 The structure has been assigned a PDF number (experimental powder diffraction data): 23-111 Rietveld profile refinement applied Temperature in Kelvin: 298 Structure type : K4CdCl6 X-ray diffraction (powder) At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3691(4) 0 0.25 1. 0 Co 1 +4 6 b 0 0 0 1. 0 Co 2 +2 6 a 0 0 0.25 1. 0 O 1 -2 36 f 0.1820(7) 0.0241(11) 0.1151(6) 1. 0 *end for ICSD #82175 *data for ICSD #153193 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 153193 Rec Date 2006/10/01 Chem Name Tricalcium Dicobalt(III) Oxide Structured Ca3 Co2 O6 Sum Ca3 Co2 O6 ANX A2B3X6 D(calc) 4.5 Title Compounds and subsolidus phase relations in the (Ca O) - (Co3 O4) - (Cu O) system Author(s) Miyazaki, Y.;Huang Xiangyang;Kajitani, T. Reference Journal of Solid State Chemistry (2005), 178, 2973-2979 Unit Cell 9.0729(3) 9.0729(3) 10.3759(2) 90. 90. 120. Vol 739.69 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a R Value .0639 Red Cell RH 6.277 6.277 6.277 92.556 92.556 92.556 246.563 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Rietveld profile refinement applied Structure type : K4CdCl6 X-ray diffraction (powder) Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3694(1) 0. 0.250 1. 0 Co 1 +3 6 b 0. 0. 0. 1. 0 Co 2 +3 6 a 0. 0. 0.250 1. 0 O 1 -2 36 f 0.1768(3) 0.0246(4) 0.1138(3) 1. 0 *end for ICSD #153193 *data for ICSD #157585 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 157585 Rec Date 2008/02/01 Chem Name Tricalcium Dicobaltate(III) Structured Ca3 (Co2 O6) Sum Ca3 Co2 O6 ANX A2B3X6 D(calc) 4.49 Title Structural and magnetic properties of spin chain compounds Ca3 Co2-x Fex O6 Author(s) Jain, A.;Singh, S.;Yusuf, S.M. Reference Physical Review, Serie 3. B - Condensed Matter (18,1978-) (2006), 74, 174419-1-174419-11 Unit Cell 9.0790(5) 9.0790(5) 10.3825(7) 90. 90. 120. Vol 741.15 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a Red Cell RH 6.281 6.281 6.281 92.557 92.557 92.557 247.051 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Neutron diffraction (powder) Rietveld profile refinement applied Temperature in Kelvin: 297 Structure type : K4CdCl6 X-ray diffraction (powder) No R value given in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3698(2) 0. 0.250 1. 0 Co 1 +3 6 b 0. 0. 0. 1. 0 Co 2 +3 6 a 0. 0. 0.250 1. 0 O 1 -2 36 f 0.1774(4) 0.0257(5) 0.1145(3) 1. 0 *end for ICSD #157585 *data for ICSD #245476 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 245476 Rec Date 2008/02/01 Chem Name Tricalcium Hexaoxodicobaltate(III) Structured Ca3 Co2 O6 Sum Ca3 Co2 O6 ANX A2B3X6 D(calc) 4.52 Title Structure and magnetism of rare-earth-substituted Ca3 Co2 O6 Author(s) Hervoches, C.H.;Fjellvag, H.;Kjekshus, A.;Fredenborg, V.M.;Hauback, B.C. Reference Journal of Solid State Chemistry (2007), 180(2), 628-635 Journal of Solid State Chemistry (1996), 124, 190-194 Unit Cell 9.060(1) 9.060(1) 10.366(1) 90. 90. 120. Vol 736.88 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b2 Red Cell RH 6.269 6.269 6.269 92.539 92.539 92.539 245.628 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Neutron diffraction (powder) Temperature in Kelvin: 8.5 X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3705(4) 0 0.25 1. 0 Co 1 +3 6 b 0 0 0 1. 0 Co 2 +3 6 b 0 0 0.5 1. 0 O 1 -2 36 f 0.1770(2) 0.0233(3) 0.1142(2) 1. 0 *end for ICSD #245476 *data for ICSD #245502 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 245502 Rec Date 2008/02/01 Chem Name Tricalcium Hexaoxodicobaltate(III) Structured Ca3 Co2 O6 Sum Ca3 Co2 O6 ANX A2B3X6 D(calc) 4.48 Title Crystal structure and magnetic properties of the solid-solution phase Ca3 Co(2-v) Sc(v) O6 Author(s) Hervoches, C.H.;Fredenborg, V.M.;Kjekshus, A.;Fjellvag, H.;Hauback, B.C. Reference Journal of Solid State Chemistry (2007), 180(3), 834-839 Unit Cell 9.0846(3) 9.0846(3) 10.3885(4) 90. 90. 120. Vol 742.5 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a Red Cell RH 6.285 6.285 6.285 92.559 92.559 92.559 247.499 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments v=0 Neutron diffraction (powder) Rietveld profile refinement applied Temperature in Kelvin: 298 Structure type : K4CdCl6 X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3690(3) 0 0.25 1. 0 Co 1 +3 6 b 0 0 0 1. 0 Co 2 +3 6 a 0 0 0.25 1. 0 O 1 -2 36 f 0.1765(2) 0.0243(2) 0.1138(1) 1. 0 *end for ICSD #245502 *data for ICSD #245504 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 245504 Rec Date 2008/02/01 Chem Name Tricalcium Hexaoxodicobaltate Structured Ca3 Co2 O6 Sum Ca3 Co2 O6 ANX A2B3X6 D(calc) 4.51 Title Crystal structure and magnetic properties of the solid-solution phase Ca3 Co(2-v) Sc(v) O6 Author(s) Hervoches, C.H.;Fredenborg, V.M.;Kjekshus, A.;Fjellvag, H.;Hauback, B.C. Reference Journal of Solid State Chemistry (2007), 180(3), 834-839 Unit Cell 9.063(1) 9.063(1) 10.369(1) 90. 90. 120. Vol 737.58 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR22 Wyckoff f e b a Red Cell RH 6.271 6.271 6.271 92.540 92.540 92.540 245.861 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments v=0 Neutron diffraction (powder) Rietveld profile refinement applied Temperature in Kelvin: 10 Structure type : K4CdCl6 X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ca 1 +2 18 e 0.3696(3) 0 0.25 1. 0 Co 1 +3 6 b 0 0 0 1. 0 Co 2 +3 6 a 0 0 0.25 1. 0 O 1 -2 36 f 0.1769(2) 0.0237(2) 0.1145(1) 1. 0 *end for ICSD #245504 |
3楼2010-05-04 20:18:23
daisylu206
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5楼2010-05-05 17:49:52
