From "Structure Reports" for the paper you cite.
Ln in (1/3, 2/3, 1/4)
O in (0.39, 0.31, 1/4)
H in (0.28, 0.14, 1/4)
You can plug these into atoms.
Sincerely,
Wayne
On Thu, Jul 14, 2011 at 7:10 PM,
G’day Listed Members,****
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Does anyone know how to convert bond length and bond angles into Cartesian coordinates to input into ATOM in Artemis. The space group is number 176 a P63/m (ie hexagonal dipyramidal) with a a=b=6.3 A, c=3.6 A.****
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Apical****
Equatorial****
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M-O2****
M-O1****
O1-O2****
O1-O2****
O2-O2****
O1-M-O2****
O1-M-O2****
O2-M-O2****
Gd(OH)3****
2.462(3)****
2.465(4)****
2.910(6)****
2.761(7)****
2.879(8)****
72.4(1)****
68.18(6)****
71.6(1)****
* G. W. Beall and W. O. Milligan, *J. Inorg. Nucl. Chem.*, 1977, vol 39, 65-70****
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I am currently trying to set up a FEFF file for Gd(OH)3 ****
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Sincerely yours,****
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Nicholas****
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