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²éѯICSD Title Crystal structures of paraelastic aluminium molybdate and ferric molybdate, beta-Al2 (Mo O4)3 and beta-Fe2 (Mo O4)3 Author(s) Harrison, W.T.A. Reference Materials Research Bulletin (1995), 30(11), 1325-1331 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 12.5547(4) 9.0214(3) 9.1035(3) 90. 90. 90. Vol 1031.07 Z 4 Space Group P b c n SG Number 60 Cryst Sys orthorhombic Atom # OX SITE x y z Al 1 +3 8 d 0.3786(4) 0.2503(5) 0.4655(4) Mo 1 +6 4 c 0 0.4743(4) 0.25 Mo 2 +6 8 d 0.3554(2) 0.3954(3) 0.1163(3) O 1 -2 8 d 0.1418(3) 0.0870(3) 0.0905(3) O 2 -2 8 d 0.0673(3) 0.3624(3) 0.1260(4) O 3 -2 8 d 0.2580(3) 0.3175(3) 0.0047(4) O 4 -2 8 d 0.4078(3) 0.0873(4) 0.3398(4) O 5 -2 8 d 0.4784(3) 0.3180(4) 0.0714(4) O 6 -2 8 d 0.3324(2) 0.3600(3) 0.3007(4) Title The crystal structure of aluminium molybdate, Al2 (M O4)3, determined by time-of-flight powder neutron diffraction Author(s) Harrison, W.T.A.;Cheetham, A.K.;Faber, J.jr Reference Journal of Solid State Chemistry (1988), 76, 328-333 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 15.3803(9) 9.0443(1) 17.888(1) 90. 125.382(2) 90. Vol 2028.73 Z 8 Space Group P 1 21/a 1 SG Number 14 Cryst Sys monoclinic Atom # OX SITE x y z Al 1 +3 4 e 0.381(1) 0.974(2) 0.313(1) Al 2 +3 4 e 0.373(1) 0.454(2) 0.050(1) Al 3 +3 4 e 0.117(1) 0.471(2) 0.179(1) Al 4 +3 4 e 0.109(1) 0.979(2) 0.420(1) Mo 1 +6 4 e -.0035(8) 0.247(1) 0.4888(6) Mo 2 +6 4 e 0.3580(7) 0.122(1) 0.1318(6) Mo 3 +6 4 e 0.1433(7) 0.111(1) 0.2563(6) Mo 4 +6 4 e 0.1470(8) 0.618(1) 0.3805(6) Mo 5 +6 4 e 0.3531(8) 0.626(1) 0.2194(6) Mo 6 +6 4 e 0.0026(8) 0.745(1) 0.0180(8) O 1 -2 4 e 0.5802(8) 0.392(1) -.0095(7) O 2 -2 4 e 0.9897(9) 0.417(1) 0.1676(8) O 3 -2 4 e 0.831(1) 0.190(1) 0.0958(7) O 4 -2 4 e 0.7655(9) 0.501(1) 0.0460(8) O 5 -2 4 e 0.5200(8) 0.431(1) 0.1482(7) O 6 -2 4 e 0.7358(9) 0.515(1) 0.2727(7) O 7 -2 4 e 0.4176(8) 0.115(1) 0.4036(7) O 8 -2 4 e 0.1798(9) 0.292(1) 0.2506(7) O 9 -2 4 e 0.5554(9) 0.361(1) 0.4471(7) O 10 -2 4 e 0.3909(9) 0.320(1) 0.9845(7) O 11 -2 4 e 0.0715(8) 0.372(1) 0.0737(7) O 12 -2 4 e 0.4116(9) 0.358(1) 0.5020(8) O 13 -2 4 e 0.8607(9) 0.395(1) 0.2314(7) O 14 -2 4 e 0.2500(9) 0.020(1) 0.5183(7) O 15 -2 4 e 0.127(1) 0.098(1) 0.3445(7) O 16 -2 4 e 0.525(1) 0.937(1) 0.3562(7) O 17 -2 4 e 0.745(1) 0.972(1) 0.2013(7) O 18 -2 4 e 0.662(1) 0.930(1) 0.2946(8) O 19 -2 4 e 0.973(1) 0.943(1) 0.3225(8) O 20 -2 4 e 0.0974(9) 0.327(1) 0.5927(7) O 21 -2 4 e 0.1607(9) 0.803(1) 0.3970(8) O 22 -2 4 e 0.053(1) 0.646(1) 0.1197(8) O 23 -2 4 e 0.3620(9) 0.599(1) 0.1236(7) O 24 -2 4 e 0.3415(8) 0.817(1) 0.2307(7) |
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