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luhongyu321鐵桿木蟲 (職業(yè)作家)
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[求助]
求助 JCPDS No. 20-0408 的cif文件 (晶體Gd2(MoO4)3---orthorhombic) 已有1人參與
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| 求助 JCPDS No. 20-0408 的cif文件 (晶體Gd2(MoO4)3---orthorhombic) |
鐵桿木蟲 (職業(yè)作家)
鐵桿木蟲 (職業(yè)作家)
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鐵桿木蟲 (職業(yè)作家)
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鐵桿木蟲 (職業(yè)作家)
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*data for ICSD #9486 Coll Code 9486 Rec Date 1980/01/01 Mod Date 2008/08/01 Chem Name Digadolinium Tris(molybdate) - Beta Structured Gd2 (Mo O4)3 Sum Gd2 Mo3 O12 ANX A2B3X12 D(calc) 4.56 Title Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI Author(s) Keve, E.T.;Abrahams, S.C.;Bernstein, J.L. Reference Journal of Chemical Physics (1971), 54, 3185-3194 Naturwissenschaften (1970), 57, 544-544 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 10.3858(1) 10.4186(1) 10.7004(1) 90. 90. 90. Vol 1157.84 Z 4 Space Group P b a 2 SG Number 32 Cryst Sys orthorhombic Pearson oP68 Wyckoff c17 R Value 0.089 Red Cell P 10.385 10.418 10.700 90 90 90 1157.842 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Stable up to 432 K (3rd ref., Tomaszewski), above P4-21m AE: Gd1,2: O7; Mo1-3: O4; O1-10: Gd Mo; O11,12: Gd2 Mo The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-0915 The structure has been assigned a PDF number (experimental powder diffraction data): 20-408 Structure type prototype : Gd2(MoO4)3(oP68) Structure type : Gd2(MoO4)3(oP68) X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) Gd 1 +3 4 c 0.4947(1) 0.1878(1) 0.7622(2) 1. 0 0.56 Gd 2 +3 4 c 0.3122(1) 0.4940(1) 0.2369(2) 1. 0 0.59 Mo 1 +6 4 c 0.4916(2) 0.2069(2) 0.1424(3) 1. 0 0.54 Mo 2 +6 4 c 0.2936(2) 0.5034(3) 0.8571(3) 1. 0 0.64 Mo 3 +6 4 c 0.2572(2) 0.7439(2) 0.5 1. 0 0.68 O 1 -2 4 c 0.385(3) 0.386(3) 0.790(3) 1. 0 1.7 O 2 -2 4 c 0.135(5) 0.371(5) 0.206(5) 1. 0 3.5 O 3 -2 4 c 0.151(3) 0.159(3) 0.823(3) 1. 0 1.4 O 4 -2 4 c 0.348(6) 0.149(7) 0.203(6) 1. 0 4.6 O 5 -2 4 c 0.315(2) 0.364(2) 0.399(2) 1. 0 1. O 6 -2 4 c 0.130(3) 0.321(3) 0.594(3) 1. 0 1.4 O 7 -2 4 c 0.361(4) 0.168(4) 0.598(4) 1. 0 2.1 O 8 -2 4 c 0.169(2) 0.129(2) 0.410(3) 1. 0 1.1 O 9 -2 4 c -.020(3) 0.304(3) 0.978(3) 1. 0 1.6 O 10 -2 4 c 0.308(2) 0.484(2) 0.015(2) 1. 0 0.9 O 11 -2 4 c 0.005(3) 0.128(2) 0.194(3) 1. 0 1.4 O 12 -2 4 c 0.370(2) -.011(2) 0.808(2) 1. 0 0.7 *end for ICSD #9486 |

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