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The crystal structure of EuRu4P12 is isotypic with filled skutterudite structures of rare earth transition metal polyphosphides: RFe4P12 (R = Ce, Pr, Nd, Sm and Eu), RRu4P12 (R = La, Ce, Pr and Nd) and ROs4P12 (R = La, Ce, Pr and Nd). The Ru cation is coordinated by six P anions in a distorted octahedral manner. The partially occupied Eu position (site occupancy 0.97) is enclosed by a cage formed by the corner-shared framework of the eight RuP6 octahedra.
The title compound is isotypic with the Im form of LaFe4P12, see: Jeitschko & Braun (1977 ). For the single-crystal preparation and magnetic and electrical properties of EuRu4P12, see: Sekine et al. (2000 ). For hyperfine interaction in EuRu4P12, see: Grandjean et al. (1983 ); Indoh et al. (2002 ). For the method used to avoid multiple diffraction, see: Takenaka et al. (2008 ).
Data collection: MXCSYS (MacScience, 1995 ) and IUANGLE (Tanaka et al., 1994 ); cell refinement: RSLC-3 UNICS system (Sakurai & Kobayashi, 1979 ); data reduction: RDEDIT (Tanaka, 2008 ); program(s) used to solve structure: QNTAO (Tanaka et al., 2008 ); program(s) used to refine structure: QNTAO; molecular graphics: ATOMS for Windows (Dowty, 2000 ); software used to prepare material for publication: RDEDIT.
Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810000589/br2130sup1.cif
Structure factors: contains datablocks I. DOI: 10.1107/S1600536810000589/br2130Isup2.hkl
Part of this study was supported by the International Training Programme (ITP) from the Japan Society for the Promotion of Science (JSPS).
Multiple diffraction was avoided by using ψ-scans (Takenaka et al., 2008). Intensities were measured at the equi-temperature region of combination of angles ω and χ of a four-circle diffractometer. The intensities have not been included for the refinement if the multiple diffraction cannot be avoided. In addition, the crystal was cooled to 100 K with an Oxford cryostream cooler installed on a four-circle diffractometer. Since the temperature of the sample depends on the ω and χ-angle and the X-ray diffraction measurement was carried out in the equi-temperature area, the ω and χ-angle had the limitation. Thus completeness of the independent reflection was less than 85%.
|Eu0.97Ru4P12||Dx = 5.925 Mg m−3|
|Mr = 923.37||Mo Kα radiation, λ = 0.71073 Å|
|Cubic, Im3||Cell parameters from 37 reflections|
|Hall symbol: -I 2 2 3||θ = 36.0–37.7°|
|a = 8.04163 (10) Å||µ = 13.37 mm−1|
|V = 520.04 (1) Å3||T = 100 K|
|Z = 2||Sphere, black|
|F(000) = 828.4||0.04 mm (radius)|
|MacScience M06XHF22 four-circle diffractometer||769 independent reflections|
|Radiation source: fine-focus rotating anode||625 reflections with F > 3σ(F)|
|graphite||Rint = 0.016|
|Detector resolution: 1.25 x 1.25° pixels mm-1||θmax = 74.2°, θmin = 3.6°|
|ω/2θ scans||h = −18→20|
|Absorption correction: for a sphere [transmission coefficients for spheres tabulated in International Tables Vol. C (1992), Table 18.104.22.168, were interpolated with Lagrange's method (four-point interpolation; Yamauchi et al., 1965)]||k = −21→21|
|Tmin = 0.486, Tmax = 0.526||l = −18→20|
|1564 measured reflections|
|Refinement on F||Weighting scheme based on measured s.u.'s|
|Least-squares matrix: full||(Δ/σ)max = 0.018|
|R[F2 > 2σ(F2)] = 0.020||Δρmax = 2.08 e Å−3|
|wR(F2) = 0.024||Δρmin = −1.14 e Å−3|
|S = 1.54||Extinction correction: B–C type 1 Gaussian isotropic (Becker & Coppens, 1975)|
|1304 reflections||Extinction coefficient: 0.068 (6)|
|Eu1||0.000000||0.000000||0.000000||0.00270 (2)||0.970 (4)|
|Eu1||0.00271 (3)||0.00271 (3)||0.00271 (3)||0||0||0|
|Ru1||0.00185 (3)||0.00185 (3)||0.00185 (3)||0.000108 (17)||0.000108 (17)||0.000108 (17)|
|P1||0.00268 (10)||0.00301 (10)||0.00285 (10)||0||0||−0.00009 (7)|
|Eu1—P1||3.1112 (3)||Ru1—P1i||2.3558 (1)|
|Eu1—Ru1||3.4821 (1)||P1—P1ii||2.3061 (1)|
|Ru1—P1||2.3558 (1)||P1—P1i||3.0829 (1)|
Symmetry codes: (i) −z+1/2, x+1/2, −y+1/2; (ii) −x, y, −z.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2130).