The crystal structure of Er(HPO 4 )(NO 3 )·3 H 2 O: ab initio determination from X-ray powder diffraction data

The crystal structure of Er(HPO 4 )(NO 3 )·3 H 2 O: ab initio determination from X-ray powder... Abstract The crystal structure of orthorhombic Er(HPO 4 )(NO 3 )·3 H 2 O has been determined from X-ray powder diffraction data. The unit cell dimensions are a = 10.1653(4) Å, b = 11.9178(5) Å, c = 6.8533(3) Å, V = 830.26(6), Z = 4. The space group is Pbcm (No. 57) or Pbc 2 1 (No. 29). The structures were solved ab initio using EXPO program and refined by FULLPROF package. Because geometrical features of the two solutions are the same, the crystal structure has been described in the scope of the centrosymmetric Pbcm space group. Positions of the hydrogen atoms were not defined. The erbium atom is eight coordinated. It is surrounded by one nitrate anion, one water molecule and four phosphate groups. (ErO 8 ) polyhedra are linked together through their edges forming infinite chains extended along the c axis. The chains are connected by phosphate groups to form layers palallel to the yz plane. Probable hydrogen bonds are discussed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

The crystal structure of Er(HPO 4 )(NO 3 )·3 H 2 O: ab initio determination from X-ray powder diffraction data

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Publisher
de Gruyter
Copyright
Copyright © 2003 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.218.7.475.20718
Publisher site
See Article on Publisher Site

Abstract

Abstract The crystal structure of orthorhombic Er(HPO 4 )(NO 3 )·3 H 2 O has been determined from X-ray powder diffraction data. The unit cell dimensions are a = 10.1653(4) Å, b = 11.9178(5) Å, c = 6.8533(3) Å, V = 830.26(6), Z = 4. The space group is Pbcm (No. 57) or Pbc 2 1 (No. 29). The structures were solved ab initio using EXPO program and refined by FULLPROF package. Because geometrical features of the two solutions are the same, the crystal structure has been described in the scope of the centrosymmetric Pbcm space group. Positions of the hydrogen atoms were not defined. The erbium atom is eight coordinated. It is surrounded by one nitrate anion, one water molecule and four phosphate groups. (ErO 8 ) polyhedra are linked together through their edges forming infinite chains extended along the c axis. The chains are connected by phosphate groups to form layers palallel to the yz plane. Probable hydrogen bonds are discussed.

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jul 1, 2003

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