Syntheses, structures, and properties of RbScFAsO4 and CsScFAsO4: Scandium-containing analogues of potassium titanyl phosphate (KTiOPO4)

W T A Harrison, M L F Phillips

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The syntheses, single-crystal structures, and some properties of RbScFAsO4, and CsScFAsO4, the first scandium-containing analogues of potassium titanyl phosphate (KTiOPO4), are reported. In both phases, the distinct cis and trans ScO4F2 octahedra are essentially regular and lack the distinctive short Ti = O bonds seen in KTiOPO4. The powder second harmonic generation responses of these phases are much smaller that that of KTiOPO4. Crystal data: RbScFAsO4, M-r = 288.34, orthorhombic, space group Pna2(1) (no. 33), a = 13.687(4) Angstrom, b = 6.804(2) Angstrom, c = 11.248(2) Angstrom, V = 1047.5(5) Angstrom(3), Z = 8, R = 3.15%, R-w = 3.95% [1807 reflections with I > 2 sigma(1)]; CsScFAsO4, M-r = 335.78 orthorhombic, space group Pna2(1) (no. 33), a = 13.900(2) Angstrom, b = 6.9413(8) Angstrom, c = 11.219(2) Angstrom, V = 1082.4(2) Angstrom(3), Z = 8, R = 3.65%, R-w = 4.14% [2205 reflections with I > 3 sigma(I)].

Original languageEnglish
Pages (from-to)3555-3560
Number of pages6
JournalChemistry of Materials
Volume11
Publication statusPublished - 1999

Keywords

  • NONLINEAR OPTICAL MATERIAL
  • SUBSTITUTION CHEMISTRY
  • CRYSTAL-STRUCTURES
  • CSXRB1-XTIOASO4 SERIES
  • STRUCTURE FIELD
  • X-RAY
  • DIFFRACTION
  • REFINEMENT
  • TRANSITION
  • SYSTEMS

Cite this

@article{5e01753c49b742368901b42f83379d48,
title = "Syntheses, structures, and properties of RbScFAsO4 and CsScFAsO4: Scandium-containing analogues of potassium titanyl phosphate (KTiOPO4)",
abstract = "The syntheses, single-crystal structures, and some properties of RbScFAsO4, and CsScFAsO4, the first scandium-containing analogues of potassium titanyl phosphate (KTiOPO4), are reported. In both phases, the distinct cis and trans ScO4F2 octahedra are essentially regular and lack the distinctive short Ti = O bonds seen in KTiOPO4. The powder second harmonic generation responses of these phases are much smaller that that of KTiOPO4. Crystal data: RbScFAsO4, M-r = 288.34, orthorhombic, space group Pna2(1) (no. 33), a = 13.687(4) Angstrom, b = 6.804(2) Angstrom, c = 11.248(2) Angstrom, V = 1047.5(5) Angstrom(3), Z = 8, R = 3.15{\%}, R-w = 3.95{\%} [1807 reflections with I > 2 sigma(1)]; CsScFAsO4, M-r = 335.78 orthorhombic, space group Pna2(1) (no. 33), a = 13.900(2) Angstrom, b = 6.9413(8) Angstrom, c = 11.219(2) Angstrom, V = 1082.4(2) Angstrom(3), Z = 8, R = 3.65{\%}, R-w = 4.14{\%} [2205 reflections with I > 3 sigma(I)].",
keywords = "NONLINEAR OPTICAL MATERIAL, SUBSTITUTION CHEMISTRY, CRYSTAL-STRUCTURES, CSXRB1-XTIOASO4 SERIES, STRUCTURE FIELD, X-RAY, DIFFRACTION, REFINEMENT, TRANSITION, SYSTEMS",
author = "Harrison, {W T A} and Phillips, {M L F}",
year = "1999",
language = "English",
volume = "11",
pages = "3555--3560",
journal = "Chemistry of Materials",
issn = "0897-4756",
publisher = "American Chemical Society",

}

TY - JOUR

T1 - Syntheses, structures, and properties of RbScFAsO4 and CsScFAsO4: Scandium-containing analogues of potassium titanyl phosphate (KTiOPO4)

AU - Harrison, W T A

AU - Phillips, M L F

PY - 1999

Y1 - 1999

N2 - The syntheses, single-crystal structures, and some properties of RbScFAsO4, and CsScFAsO4, the first scandium-containing analogues of potassium titanyl phosphate (KTiOPO4), are reported. In both phases, the distinct cis and trans ScO4F2 octahedra are essentially regular and lack the distinctive short Ti = O bonds seen in KTiOPO4. The powder second harmonic generation responses of these phases are much smaller that that of KTiOPO4. Crystal data: RbScFAsO4, M-r = 288.34, orthorhombic, space group Pna2(1) (no. 33), a = 13.687(4) Angstrom, b = 6.804(2) Angstrom, c = 11.248(2) Angstrom, V = 1047.5(5) Angstrom(3), Z = 8, R = 3.15%, R-w = 3.95% [1807 reflections with I > 2 sigma(1)]; CsScFAsO4, M-r = 335.78 orthorhombic, space group Pna2(1) (no. 33), a = 13.900(2) Angstrom, b = 6.9413(8) Angstrom, c = 11.219(2) Angstrom, V = 1082.4(2) Angstrom(3), Z = 8, R = 3.65%, R-w = 4.14% [2205 reflections with I > 3 sigma(I)].

AB - The syntheses, single-crystal structures, and some properties of RbScFAsO4, and CsScFAsO4, the first scandium-containing analogues of potassium titanyl phosphate (KTiOPO4), are reported. In both phases, the distinct cis and trans ScO4F2 octahedra are essentially regular and lack the distinctive short Ti = O bonds seen in KTiOPO4. The powder second harmonic generation responses of these phases are much smaller that that of KTiOPO4. Crystal data: RbScFAsO4, M-r = 288.34, orthorhombic, space group Pna2(1) (no. 33), a = 13.687(4) Angstrom, b = 6.804(2) Angstrom, c = 11.248(2) Angstrom, V = 1047.5(5) Angstrom(3), Z = 8, R = 3.15%, R-w = 3.95% [1807 reflections with I > 2 sigma(1)]; CsScFAsO4, M-r = 335.78 orthorhombic, space group Pna2(1) (no. 33), a = 13.900(2) Angstrom, b = 6.9413(8) Angstrom, c = 11.219(2) Angstrom, V = 1082.4(2) Angstrom(3), Z = 8, R = 3.65%, R-w = 4.14% [2205 reflections with I > 3 sigma(I)].

KW - NONLINEAR OPTICAL MATERIAL

KW - SUBSTITUTION CHEMISTRY

KW - CRYSTAL-STRUCTURES

KW - CSXRB1-XTIOASO4 SERIES

KW - STRUCTURE FIELD

KW - X-RAY

KW - DIFFRACTION

KW - REFINEMENT

KW - TRANSITION

KW - SYSTEMS

M3 - Article

VL - 11

SP - 3555

EP - 3560

JO - Chemistry of Materials

JF - Chemistry of Materials

SN - 0897-4756

ER -