Abstract The crystal structure of the gallium hydrogen phosphate hydrate, Ga 3 (H 3 O)H 8 (PO 4 ) 6 · 6 H 2 O, has been determined from X-ray powder diffraction data. The structure is trigonal, space group P 31 c (No. 159), with unit cell dimensions a = 9.0227(1) Å, c = 16.6389(3) Å, V = 1173.08(3) Å 3 , Z = 2, and D x = 2.59 g/cm 3 . The structure was solved by direct methods using EXPO program and refined by FULLPROF package to R Bragg value of 8.6%. Positions of hydrogen atoms were not defined. There are three unique gallium atoms in the crystal structure, having octahedral oxygen coordination. GaO 6 octahedra are linked together via the corners of PO 4 tetrahedra to form a three-dimensional network with channels running along the c axis. There are two types of water molecules in the crystal, which essentially differ in their atomic environment. Oxonium cations, lying on crystallographic threefold axis, are surrounded by oxygen atoms of the phosphate groups and water molecules.
Zeitschrift für Kristallographie - Crystalline Materials – de Gruyter
Published: May 1, 2004
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