RbZrOAsO4: a zirconium-containing analogue of potassium titanyl phosphate (KTiOPO4)

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The synthesis and single crystal structure of RbZrOAsO4 are reported. This phase is the first fully characterised isostructure of potassium titanyl phosphate (KTP or KTiOPO4) to contain only zirconium on the octahedral cation sites. The ZrIO6 octahedron shows a displacement of Zr towards an octahedral edge, and the Zr2O(6) Octahedron is virtually undistorted. The corresponding TiO6 groups in titanium-containing KTP types both show a displacement of the Ti atom towards an octahedral vertex. Crystal data: RbZrOAsO4, M-r = 331.61, orthorhombic, Pna2(1) (No. 33), a = 13.7538 (6) Angstrom, b = 6.8835 (3) Angstrom, c = 11.2712 (5) Angstrom, V = 1067.09 (8) Angstrom(3), Z = 8, R(F) = 0.034, wR(F-2) = 0.080. (C) 2004 Elsevier SAS. All rights reserved.

Original languageEnglish
Pages (from-to)981-985
Number of pages5
JournalSolid State Sciences
Publication statusPublished - 2004


  • crystal structure
  • zirconium
  • nonlinear optical materials
  • KTP


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