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

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Abstract

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
Volume6
DOIs
Publication statusPublished - 2004

Keywords

  • crystal structure
  • zirconium
  • nonlinear optical materials
  • CRYSTAL-STRUCTURES
  • PHASE-TRANSITIONS
  • KTP

Cite this

@article{79bf17450e4242f2a0002b50aaf8c787,
title = "RbZrOAsO4: a zirconium-containing analogue of potassium titanyl phosphate (KTiOPO4)",
abstract = "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.",
keywords = "crystal structure, zirconium, nonlinear optical materials, CRYSTAL-STRUCTURES, PHASE-TRANSITIONS, KTP",
author = "M Simpson and Harrison, {W T A}",
year = "2004",
doi = "10.1016/j.solidstatesciences.2004.05.003",
language = "English",
volume = "6",
pages = "981--985",
journal = "Solid State Sciences",
issn = "1293-2558",
publisher = "Elsevier Masson SAS",

}

TY - JOUR

T1 - RbZrOAsO4: a zirconium-containing analogue of potassium titanyl phosphate (KTiOPO4)

AU - Simpson, M

AU - Harrison, W T A

PY - 2004

Y1 - 2004

N2 - 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.

AB - 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.

KW - crystal structure

KW - zirconium

KW - nonlinear optical materials

KW - CRYSTAL-STRUCTURES

KW - PHASE-TRANSITIONS

KW - KTP

U2 - 10.1016/j.solidstatesciences.2004.05.003

DO - 10.1016/j.solidstatesciences.2004.05.003

M3 - Article

VL - 6

SP - 981

EP - 985

JO - Solid State Sciences

JF - Solid State Sciences

SN - 1293-2558

ER -