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Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl

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Published in Acta Crystallographica. C, Crystal Structure Communications. 1992, vol. C 48, no. 7, p. 1167-1170
Abstract Co3B7O13Br (Co-Br) is orthorhombic, space group Pca21, with a 8.5614(2), b 8.5657(2), and c 12.1196(3) .ANG.; Z = 4, dc = 4.04, R = 7.0 and Rw = 5.4% for 2824 reflections. Ni3B7O13Cl (Ni-Cl) is orthorhombic, space group Pca21, with a 8.5105(4), b 8.4984(4), and c 12.0324(5) .ANG.; Z = 4, dc = 2.78, R = 3.5 and Rw = 3.1% for 2082 reflections. At. coordinates are given. The metal surroundings of Co-Br and Ni-Cl were analyzed and show 2 metal sites (Co2, Co3; Ni2, Ni3) with chem. similar environments and 1 metal site (Co1; Ni1) with a different environment. Six B atoms have a tetrahedral or slightly distorted tetrahedral coordination, whereas 1 B atom (B4) has triangular surroundings in both compds.
Keywords Structure cobalt bromine boracite crystalBoracite cobalt nickel halide crystal structureNickel chlorine boracite crystal structure
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Structures
Project FNS: 1991
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KUBEL, Frank, MAO, Shao Yu, SCHMID, Hans. Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl. In: Acta Crystallographica. C, Crystal Structure Communications, 1992, vol. C 48, n° 7, p. 1167-1170. https://archive-ouverte.unige.ch/unige:31429

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