caa a22 4500 378923412 CHVBK 20180305123611.0 cr unu---uuuuu 161128e20040501xx s 000 0 eng 10.1524/zkri.219.5.267.32747 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.5.267.32747 Crystal structure determination of Ga3(H3O)H8(PO4)6 · 6 H2O from X-ray powder diffraction data [Elektronische Daten] [Ludmila S. Ivashkevich, Alexander S. Lyakhov, Anatoly F. Selevich, Anatoly I. Lesnikovich] The crystal structure of the gallium hydrogen phosphate hydrate, Ga3(H3O)H8(PO4)6 · 6 H2O, has been determined from X-ray powder diffraction data. The structure is trigonal, space group P31c (No. 159), with unit cell dimensions a = 9.0227(1) Å, c = 16.6389(3) Å, V = 1173.08(3) Å3, Z = 2, and Dx = 2.59 g/cm3. The structure was solved by direct methods using EXPO program and refined by FULLPROF package to RBragg 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. GaO6 octahedra are linked together via the corners of PO4 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. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Ivashkevich Ludmila S. aut Lyakhov Alexander S. aut Selevich Anatoly F. aut Lesnikovich Anatoly I. aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/5(2004-05-01), 267-271 2194-4946 219:5<267 2004 219 zkri https://doi.org/10.1524/zkri.219.5.267.32747 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.5.267.32747 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ivashkevich Ludmila S. aut NATIONALLICENCE 700 1- Lyakhov Alexander S. aut NATIONALLICENCE 700 1- Selevich Anatoly F. aut NATIONALLICENCE 700 1- Lesnikovich Anatoly I. aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/5(2004-05-01), 267-271 2194-4946 219:5<267 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter