CRYSTAL STRUCTURE OF THE LOW-TEMPERATURE MODIFICATION OF Α-RBB3O5

M.G. Krzhizhanovskaya, Yu.K. Kabalov, R.S. Bubnova, E.V. Sokolova, S.K. Filatov

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Abstract

The crystal structure of α-RbB3O5 was refined by the Rietveld method with due regard for anisotropic vibrations of rubidium atoms to Rp = 2.93, Rwp = 3.80, RB = 2.53, RF = 2.84, and s = 1.54. The compound is isostructural to CsB3O5: it is orthorhombic, sp. gr. P212121, a = 8.209(1), b = 10.092(1), c = 5.382(1) Å, and V = 445.9 Å3. The framework structure is formed by the boron - oxygen [BIII2BIVO5]- rings consisting of two [BO3]-triangles and a [BO4]-tetrahedron. The rings are linked to form systems of helical chains running along the twofold screw axes parallel 21 to the a- and b-axes and infinite channels parallel to the a- and c-axes, which accommodate Rb atoms. The data were collected on an ADP-2 diffractometer [CuKα radiation, Ni-filter, 12.00° <2θ <110.00°, a step in 2θ equal to 0.02°, count time 8 s per step, and 711 reflections (α1 + α2)]. All the calculations were performed using version 3.3 of the WYRIET program. The comparison of the structures of α- and β-RbB3O5 and CsB3O5 revealed that the type
Original languageEnglish
Pages (from-to)572-577
Number of pages6
JournalCrystallography Reports
Volume45
Issue number4
DOIs
StatePublished - 2000

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