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The title compound, pentairon tripraseodymium dodecaoxide (PrIG), has an iron garnet structure. There are two Fe site symmetries. One of the Fe atoms is coordinated by six O atoms, forming a slightly distorted octahedron, and has site symmetry. The other Fe atom is coordinated by four O atoms, forming a slightly distorted tetrahedron, and has site symmetry. FeO6 octahedra and FeO4 tetrahedra are linked together by corners. The Pr atom is coordinated by eight O atoms, forming a distorted dodecahedron, and has 222 site symmetry. The O atoms occupy the general positions.
The title compound is isotypic with the Ia d form of Y3Fe5O12 (YIG). For related structures, see: Bonnet et al. (1975 ). For details of the crystal growth from low-temperature liquid-phase epitaxy, see: Fratello et al. (1986 ). For the extinction correction, see: Becker & Coppens (1975 ). X-ray intensities were measured avoiding multiple diffraction, see: Takenaka et al. (2008 ).
Data collection: AFC-5, specially designed for PF-BL14A (Rigaku, 1984 ) 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/S1600536809038100/br2121sup1.cif
Structure factors: contains datablocks I. DOI: 10.1107/S1600536809038100/br2121Isup2.hkl
The authors thank Dr V. J. Fratello for supplying the crystals.
Single crystals of praseodymium iron garnet were prepared by low temperature liquid phase epitaxy on Sm3(ScGa)5O12 seeds with lattice parameters near the projected values for PrIG.
X-ray intensities were measured avoiding multiple diffraction. (Takenaka et al., 2008).
|Pr3Fe5O12||Dx = 5.894 Mg m−3|
|Mr = 893.98||Synchrotron radiation, λ = 0.67171 Å|
|Cubic, Ia3d||Cell parameters from 9 reflections|
|Hall symbol: -I 4bd 2c 3||θ = 17.5–52.3°|
|a = 12.6302 (3) Å||µ = 17.41 mm−1|
|V = 2014.79 (8) Å3||T = 298 K|
|Z = 8||Sphere, black|
|F(000) = 3224||0.04 mm (radius)|
|Rigaku AFC four-circle diffractometer||1728 independent reflections|
|Si 111||1728 reflections with F > 3σ(F)|
|Detector resolution: 1.25 × 1.25° pixels mm-1||Rint = 0.016|
|ω/2θ scans||θmax = 68.3°, θmin = 3.7°|
|Absorption correction: for a sphere [Transmission coefficients for spheres tabulated in International Tables C (1992), Table 18.104.22.168, were interpolated with Lagrange's method (four-point interpolation (Yamauchi et al., 1965)]||h = −9→34|
|Tmin = 0.413, Tmax = 0.441||k = −9→32|
|9351 measured reflections||l = −9→34|
|Refinement on F||Primary atom site location: isomorphous structure methods|
|Least-squares matrix: full||Weighting scheme based on measured s.u.'s|
|R[F2 > 2σ(F2)] = 0.019||(Δ/σ)max = 0.003|
|wR(F2) = 0.021||Δρmax = 2.52 e Å−3|
|S = 1.06||Δρmin = −3.16 e Å−3|
|9351 reflections||Extinction correction: B–C type 1 Gaussian isotropic (Becker & Coppens, 1975)|
|17 parameters||Extinction coefficient: 0.255 (5)|
|O1||−0.029622 (2)||0.052553 (2)||0.149166 (2)||0.00711 (5)|
|Pr1||0.00406 (2)||0.00594 (2)||0.00594 (2)||0||0||0.00111 (1)|
|Fe1||0.00512 (2)||0.00512 (2)||0.00512 (2)||−0.00023 (1)||−0.00023 (1)||−0.00023 (1)|
|Fe2||0.00411 (3)||0.00594 (2)||0.00594 (2)||0||0||0|
|O1||0.00718 (8)||0.00829 (8)||0.00587 (7)||−0.00004 (6)||0.00080 (6)||0.00038 (6)|
|Pr1—O1||2.42410 (10)||Fe1—O1i||2.03220 (10)|
|Pr1—O1i||2.54010 (10)||Fe1—O1viii||2.03220 (10)|
|Pr1—O1ii||2.42410 (10)||Fe1—O1ix||2.03220 (10)|
|Pr1—O1iii||2.54010 (10)||Fe1—O1x||2.03220 (10)|
|Pr1—O1iv||2.42410 (10)||Fe1—O1xi||2.03220 (10)|
|Pr1—O1v||2.54010 (10)||Fe2—O1xii||1.87450 (10)|
|Pr1—O1vi||2.42410 (10)||Fe2—O1iv||1.87450 (10)|
|Pr1—O1vii||2.54010 (10)||Fe2—O1xiii||1.87450 (10)|
|Fe1—O1||2.03220 (10)||Fe2—O1vi||1.87450 (10)|
|O1—Pr1—O1i||67.75 (1)||O1—Fe1—O1viii||85.87 (1)|
|O1—Pr1—O1iii||124.91 (1)||O1—Fe1—O1x||94.13 (1)|
|O1—Pr1—O1iv||111.18 (1)||O1—Fe1—O1xi||94.13 (1)|
|O1—Pr1—O1v||73.25 (1)||O1xii—Fe2—O1vi||114.39 (1)|
|O1—Pr1—O1vi||159.51 (1)||O1xii—Fe2—O1iv||114.39 (1)|
|O1—Pr1—O1vii||95.43 (1)||O1xii—Fe2—O1xiii||100.02 (1)|
Symmetry codes: (i) z, x, y; (ii) x, −y, −z+1/2; (iii) z, −x, −y+1/2; (iv) −x+1/4, −z+1/4, −y+1/4; (v) −z+1/4, −y+1/4, −x+1/4; (vi) −x+1/4, z−1/4, y+1/4; (vii) −z+1/4, y−1/4, x+1/4; (viii) y, z, x; (ix) −x, −y, −z; (x) −z, −x, −y; (xi) −y, −z, −x; (xii) x+1/2, y, −z+1/2; (xiii) x+1/2, −y, z.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2121).