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Cubic structure of chromium-bromine boracite at 298 and 113 K

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Published in Acta Crystallographica. B, Structural Science. 1992, vol. 48, no. 1, p. 30-32
Abstract Cr<sub>3</sub>B<sub>7</sub>O<sub>l3</sub>Br, M<sub>r</sub> = 519.55, cubic, F43c, Z = 8, a(Mo Ka) = 0.71073 ,~, F(000) = 1968. At 298 K: a = 12.1524 (1)/~, V = 1794.68 (3) A<sup>3</sup>, D<sub>x</sub> = 3.845 Mg m<sup>-3</sup>, /mu = 8.533 mm<sup>-1</sup>, final R = 0.020 for 206 unique reflections with I > 3/sigma(I); shortest interatomic distances (A): Cr--O = 2.061 (2), Cr--Br = 3.03810 (3), B--O = 1.436 (3), O--O = 2.388 (2). At 113K: a=12.1340 (3) A, V=1786.54 (13) A<sup>3</sup>, D<sub>x</sub>, =3.863Mg m<sup>-3</sup>, /mu=8.533mm<sup>-1</sup>, final R=0.025 for 281 unique reflections with I> 3/sigma(I); shortest interatomic distances (A): Cr--O = 2.057 (2), Cr--Br = 3.0335 (1), B--O = 1.436 (3), O--O = 2.390 (2). The planarity of the metal-centred CrO<sub>4</sub> groups does not differ significantly from that in other chromiumbased cubic boracites and generally increases as the temperature is lowered.
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YOSHIDA, Masato et al. Cubic structure of chromium-bromine boracite at 298 and 113 K. In: Acta Crystallographica. B, Structural Science, 1992, vol. 48, n° 1, p. 30-32. https://archive-ouverte.unige.ch/unige:79272

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