Crystal Structure of the Transition-Metal Molybdates and Tungstates. IV. Paramagnetic CuMoO4

Journal of Chemical Physics - Tập 48 Số 6 - Trang 2619-2629 - 1968
S. C. Abrahams1, J. Bernstein1, P. B. Jamieson1
1Bell Telephone Laboratories, Incorporated Murray Hill, New Jersey

Tóm tắt

Paramagnetic CuMoO4 is triclinic, space group P1̄, with lattice constants a = 9.903 ± 0.028, b = 6.783 ± 0.015, c = 8.359 ± 0.0019 Å, α = 101.08° ± 0.20°, β = 96.88° ± 0.20°, and γ = 107.05° ± 0.20° at 298°K, with six formula weights in the unit cell. The integrated intensities of 6310 reflections within a reciprocal hemisphere of radius (sinθ) / λ = 1.02 Å−1 were measured with PEXRAD; of these, 3081 were independent and significantly above background. The atomic arrangement is similar to that in ZnMoO4 but with corresponding atoms displaced by as much as 0.4 Å. Refinement by the method of least squares gave a final agreement factor between measured and calculated structure factors of 0.064. Two of the independent copper atoms occupy axially distorted octahedra of oxygen atoms; the four short Cu–O bond distances in each octahedron range between 1.933 ± 0.010 and 1.980 ± 0.012 Å, with an average value of 1.953 Å. The axial Cu–O bonds range in length between 2.213 ± 0.012 and 2.619 ± 0.011 Å, with an average value of 2.364 Å. The third copper atom occupies a distorted tetragonal pyramidal arrangement of oxygen atoms, with basal Cu–O distances ranging from 1.894 ± 0.013 to 1.985 ± 0.010 Å, the average being 1.928 Å; the apical Cu–O bond length is 2.341 ± 0.009 Å. The three independent molybdenum atoms are surrounded by somewhat distorted oxygen tetrahedra with Mo–O distances varying between 1.701 ± 0.010 and 1.862 ± 0.008 Å, the average being 1.772 Å. All atoms in CuMoO4 vibrate with significant thermal anisotropy.

Từ khóa


Tài liệu tham khảo

1965, J. Chem. Phys., 43, 2533, 10.1063/1.1697153

1965, Acta Cryst., 19, 269, 10.1107/S0365110X65003201

1967, J. Chem. Phys., 46, 2052, 10.1063/1.1841001

1962, Rev. Sci. Instr., 33, 973, 10.1063/1.1718043

1963, Rev. Sci. Instrum., 34, 1279, 10.1063/1.1718216

1965, Acta Cryst., 18, 926, 10.1107/S0365110X65002244

1963, Acta Cryst., 16, 943, 10.1107/S0365110X63002553

1967, J. Chem. Phys., 46, 3776, 10.1063/1.1840450

1964, Acta Cryst., 17, 1327, 10.1107/S0365110X64003310

1963, Acta Cryst., 16, 1139, 10.1107/S0365110X63002991

1965, Acta Cryst., 18, 17, 10.1107/S0365110X6500004X

1965, Acta Cryst., 18, 502, 10.1107/S0365110X65001081

1963, Science, 141, 348, 10.1126/science.141.3578.348

1967, Acta Chem. Scand., 21, 2575, 10.3891/acta.chem.scand.21-2575

1967, Acta Cryst., 22, 870, 10.1107/S0365110X67001707

1967, Acta Cryst., 22, 406, 10.1107/S0365110X67000787

1966, Quart. Rev. (London), 20, 245, 10.1039/qr9662000245

1958, Acta Cryst., 11, 866, 10.1107/S0365110X58002450

1966, Acta Cryst., 21, 594, 10.1107/S0365110X66003517

1966, J. Chem. Phys., 45, 2745, 10.1063/1.1728021

Thông tin
Thông tin xuất bản

Journal of Chemical Physics

Tập 48 Số 6

2619-2629

Thông tin tác giả