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[求助]
50金币求钼酸钴（CoMoO4）.cif文件 已有1人参与
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如题，求钼酸钴的cif文件，两个，pdf卡片分别为21-0868和25-1434的那两相（不知道可不可以这么说，你懂就好） ps.不知道这个求助该发在哪里，如果不对就麻烦斑竹帮忙搬搬家撒~ |
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只找到以下三个，21-0868未检索到。 *data for ICSD #23808 Coll Code 23808 Rec Date 1980/01/01 Mod Date 2007/08/01 Chem Name Cobalt Molybdate Structured Co (Mo O4) Sum Co1 Mo1 O4 ANX ABX4 D(calc) 4.79 Title The crystal structure of cobalt molybdate, Co Mo O4 Author(s) Smith, G.W.;Ibers, J.A. Reference Acta Crystallographica (1,1948-23,1967) (1965), 19, 269-275 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 9.666(8) 8.854(8) 7.755(8) 90. 113.82(20) 90. Vol 607.16 Z 8 Space Group C 1 2/m 1 SG Number 12 Cryst Sys monoclinic Pearson mS48 Wyckoff j3 i4 h g R Value .082 Red Cell C 6.554 6.554 7.755 72.673 72.673 84.979 303.58 Trans Red -0.500 0.500 0.000 / -0.500 -0.500 0.000 / 0.000 0.000 1.000 Comments Stable up to 673 K (2nd ref., Tomaszewski) AE: Co1,2: O6; Mo1,2: O4; O1: Co2 Mo; O2,3,5: Co Mo; O4: Co3 Mo The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-1331 The structure has been assigned a PDF number (experimental powder diffraction data): 25-1434 Structure type prototype : CoMoO4 Structure type : CoMoO4 X-ray diffraction from single crystal Unusual difference between calculated and measured density Atom # OX SITE x y z SOF H ITF(B) Co 1 +2 4 i 0.3108(2) 0 0.1555(3) 1. 0 0 Co 2 +2 4 h 0 0.3094(2) 0.5 1. 0 0 Mo 1 +6 4 i 0.2844(1) 0 0.6391(2) 1. 0 0 Mo 2 +6 4 g 0 0.2852(1) 0 1. 0 0 O 1 -2 8 j 0.5035(9) 0.1515(9) 0.2395(11) 1. 0 0.4 O 2 -2 8 j 0.1528(10) 0.1656(11) 0.0772(13) 1. 0 0.92 O 3 -2 8 j 0.1642(10) 0.1534(10) 0.5815(12) 1. 0 0.8 O 4 -2 4 i 0.3476(12) 0 0.4376(16) 1. 0 0.43 O 5 -2 4 i 0.3487(14) 0 0.9156(18) 1. 0 0.74 Lbl Type Beta11 Beta22 Beta33 Beta12 Beta13 Beta23 Co1 Co2+ 0.00117(18) 0.00171(17) 0.00259(33) 0 0.00020(17) 0 Co2 Co2+ 0.00148(17) 0.00131(17) 0.00220(29) 0 0.00049(16) 0 Mo1 Mo6+ 0.00078(10) 0.00143(10) 0.00145(19) 0 -.00013(10) 0 Mo2 Mo6+ 0.00134(11) 0.00085(9) 0.00111(18) 0 0.00018(10) 0 *end for ICSD #23808 *data for ICSD #281235 Coll Code 281235 Rec Date 2003/10/01 Chem Name Cobalt Molybdate - Ii Structured Co (Mo O4) Sum Co1 Mo1 O4 ANX ABX4 D(calc) 5.58 Title Solution process for the synthesis of the "high-pressure" phase Co Mo O4 and X-ray single crystal resolution Author(s) Livage, C.;Hynaux, A.;Marrot, J.;Nogues, M.;Ferey, G. Reference Journal of Materials Chemistry (2002), 12, 1423-1425 Unit Cell 4.6598(7) 5.6862(9) 4.9159(7) 90. 90.521(3) 90. Vol 130.25 Z 2 Space Group P 1 2/c 1 SG Number 13 Cryst Sys monoclinic Pearson mP12 Wyckoff g2 f e R Value .027 Red Cell P 4.659 4.915 5.686 89.999 89.999 90.521 130.249 Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-2505 Temperature in Kelvin: 296 Structure type : NiWO4 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Mo 1 +6 2 e 0 0.18500(9) 0.25 1. 0 Co 1 +2 2 f 0.5 0.67338(14) 0.25 1. 0 O 1 -2 4 g 0.2179(6) -.1072(6) 0.0646(6) 1. 0 O 2 -2 4 g 0.2551(6) 0.3772(5) 0.1021(6) 1. 0 Lbl Type U11 U22 U33 U12 U13 U23 Mo1 Mo6+ 0.0080(3) 0.0075(3) 0.0069(3) 0 0.0010(2) 0 Co1 Co2+ 0.0089(5) 0.0104(5) 0.0083(5) 0 0.0000(3) 0 O1 O2- 0.010(2) 0.0100(14) 0.008(2) 0.0030(11) 0.0007(13) 0.0004(10) O2 O2- 0.0103(15) 0.0106(14) 0.010(2) -0.0010(12) 0.0013(12) -0.0006(11) *end for ICSD #281235 *data for ICSD #81061 Coll Code 81061 Rec Date 1997/05/13 Mod Date 2005/10/01 Chem Name Cobalt Molybdate - Ii, Hp Structured Co Mo O4 Sum Co1 Mo1 O4 ANX ABX4 D(calc) 5.59 Title Crystal structures and magnetic properties of the high-pressure modifications of Co Mo O4 and Ni Mo O4 Author(s) Wiesmann, M.;Ehrenberg, H.;Wltschek, G.;Zinn, P.;Weitzel, H.;Fuess, H. Reference Journal of Magnetism and Magnetic Materials (1995), 150, 1-4 Unit Cell 4.6559(2) 5.6808(2) 4.9112(1) 90. 89.51(2) 90. Vol 129.89 Z 2 Space Group P 1 2/c 1 SG Number 13 Cryst Sys monoclinic Pearson mP12 Wyckoff g2 f e Red Cell P 4.655 4.911 5.680 90 89.999 90.489 129.893 Trans Red -1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 1.000 0.000 Comments Published data has been corrected through correspondence with the author The structure has been assigned a PDF number (calculated powder diffraction data): 01-086-0363 The structure has been assigned a PDF number (experimental powder diffraction data): 16-309 Rietveld profile refinement applied Temperature in Kelvin: 297 Structure type : NiWO4 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 Co 1 +2 2 f 0.5 0.6722(8) 0.25 1. 0 Mo 1 +6 2 e 0 0.1848(4) 0.25 1. 0 O 1 -2 4 g 0.2162(15) 0.1075(14) 0.9323(18) 1. 0 O 2 -2 4 g 0.2545(17) 0.3758(14) 0.4001(18) 1. 0 *end for ICSD #81061 |
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- 附件 2 : 25-1434.cif
- 附件 3 : 71-2505.cif
2016-05-11 10:53:27, 1.95 K
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2楼2016-05-11 10:54:06
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