Structure of Zr2(WO4)(PO4)2 from Powder X-Ray Data: Cation Ordering with No Superstructure
β Scribed by J.S.O. Evans; T.A. Mary; A.W. Sleight
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 208 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0022-4596
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β¦ Synopsis
The ab initio structure determination of (\mathrm{Zr}{2}\left(\mathrm{WO}{4}\right)\left(\mathrm{PO}{4}\right){2}) from room temperature powder X-ray diffraction data is reported. This compound crystallizes in the orthorhombic space group Pnca with (a=9.35451(9), b=12.31831(9)), and (c=9.16711(8) \AA) Γ. The structure is based on (\mathrm{ZrO}{6}) octahedra sharing corners with (\mathrm{WO}{4}) and (\mathrm{PO}{4}) tetrahedra. Although (\mathrm{Zr}{2}\left(\mathrm{WO}{4}\right)\left(\mathrm{PO}{4}\right){2}) is isostructural with (\mathrm{Fe}{2}\left(\mathrm{MoO}{4}\right){3}) and its (\mathrm{WO}{4}) and (\mathrm{PO}{4}) tetrahedra are well ordered, no superstructure or change in space group is required to account for this ordering. (\odot 1995) Academic Press, nc.
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## Abstract For Abstract see ChemInform Abstract in Full Text.
The structure consists of a three-dimensional network of TiO 6 octahedra and PO 4 tetrahedra linked by vertex sharing. The two independent Ti atoms are connected by an oxo-bridge and two independent H 2 O molecules are linked to one type of Ti atoms. -(SALVADO, M. A.;