£-Mg 2 P0 4 0H I Crystal structure / Hydrogen bonding / IR spectrum / Cell parameters for the series Mg 2 P0 4 F (wagnerite) -/MVIg 2 P0 4 0H Abstract The crystal structure of/?-Mg 2 P0 4 0H (P2,/c, a = 9.656(3), b = 12.859(3), c = 12.069(4) Ä, β = 108.49(3)°, Ζ = 16) has been refined isotropically to a final /{-value of 0.052 for 1863 high-angle reflections.Fairly regular P0 4 tetrahedra, distorted cis-Mg0 4 (0H) 2 octahedra, and distorted Mg0 4 (0H) trigonal bipyramids are sharing either edges or vertices to build up a complex three-dimensional network. The variation in cell parameters for the solid-solution series Mg 2 P0 4 F-Mg 2 P0 4 0H with wagnerite structure is shown graphically. There are indications of preferred substitution of OH for F in the two 'largest' F/OH sites. Low valence sums in the bond-strength calculation are correlated with long Mg-Ο distances. Hydrogen bonding is relatively weak with strongly bent Ο -Η · · · Ο bonds. The infra-red spectrum is briefly discussed.
Mg 2 P0 4 0H I Phase diagram / £-Mg 2 P0 4 0H / a-Mg 2 P0 4 0H / Crystal structure / Optical data / Crystal morphology / IR spectrum Abstract The crystal structure of 6-Mg 2 P0 4 0H (Prima, a = 8.239(1), b = 6.135(1), c= 7.404(1) Ä, Ζ = 4) was solved by direct methods and Fourier syntheses and refined to a final /{-value of 0.017 for 637 high-angle reflections. Slightly distorted iraras-Mg0 4 (0H) 2 octahedra form chains along b by edge-sharing, the chains being connected laterally by pairs of cornersharing, highly distorted P0 4 and Mg0 4 (0H) polyhedra. From steric considerations and a bond-strength calculation, the OH group is found to be essentially unbonded. Morphological study has revealed ten crystal forms. Optical data are: n a = 1.5790, η β = 1.5830, n, = 1.5870 (all ±0.0005 at 589 nm and 22.1 ± 0.1 °C); 2V X = 88.1(2)° (from spindlestage extinction data); X = b, Υ = a, Ζ = c. A phase diagram showing the stability fields of five polymorphs of Mg 2 P0 4 0H is presented. The structures of four of these are briefly compared. Infra-red spectra are given for ε-and a-Mg 2 P0 4 0H.
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