Abstract The crystal structure of In 2 H 2 (P 2 O 7 )(P 4 O 12 ) has been determined from X-ray powder diffraction data. The structure is orthorhombic, space group Pmmn (No. 59), with unit cell dimensions a = 12.9398(2) Å, b = 11.3725(3) Å, c = 5.0385(1) Å, V = 741.45(3) Å 3 , Z = 2, and D x = 3.23 g/cm 3 . The structure has been solved by direct methods using EXPO program and refined by FULLPROF package. The final R Bragg value was 4.6%. Positions of hydrogen atoms were not defined. Indium cation has sixfold oxygen coordination being surrounded by two diphosphate and four cyclotetraphosphate groups. Probable scheme of hydrogen bonding is discussed.
Zeitschrift für Kristallographie - Crystalline Materials – de Gruyter
Published: Jan 1, 2003
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