Structure of MnPO/sub 4/ x H/sub 2/O by synchrotron x-ray powder diffraction
The crystal structure of MnPO/sub 4/ x H/sub 2/O has been determined from high-resolution synchrotron X-ray powder diffraction data. The powder pattern was indexed on the basis of 20 accurately measured reflections by an automatic indexing program. Integrated intensities were obtained for 61 unambiguously indexed reflections and used to generate a Patterson map from which the position of the manganese atom was determined. The remaining non-hydrogen atoms were located by Fourier methods, and the hydrogen atom was placed geometrically and refined without constraints. Refinement of the entire diffraction profile, by the Rietveld method, converged to final agreement factors R/sub wp/ = 0.161, R/sub p/ = 0.122, and R/sub I/ = 0.047. The compound crystallizes in the monoclinic space group, C2c, with lattice parameters a = 6.912 (1) A, b = 7.470 (1) A, c = 7.357 (1) A, ..beta.. = 112.3 (1)/sup 0/, and Z = 4. The structure consists of axially distorted MnO/sub 6/ octahedra linked together, through the oxygen atom of the water molecule at a common vertex, to form zigzag-Mn-O-Mn-chains running parallel to (101). These chains are interconnected by PO/sub 4/ tetrahedra to form a continuous three-dimensional network. 27 references, 5 figures, 2 tables.
- Research Organization:
- Univ. of Oxford (England)
- OSTI ID:
- 7004703
- Journal Information:
- Inorg. Chem.; (United States), Vol. 26:21
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
HYDRATES
CRYSTAL STRUCTURE
MANGANESE PHOSPHATES
EXPERIMENTAL DATA
X-RAY DIFFRACTION
COHERENT SCATTERING
DATA
DIFFRACTION
INFORMATION
MANGANESE COMPOUNDS
NUMERICAL DATA
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
SCATTERING
TRANSITION ELEMENT COMPOUNDS
400201* - Chemical & Physicochemical Properties