Inorganic Solid Phases

K0.86Rb0.14TiOPO4 (Rb0.5K0.5Ti[PO4]O) Crystal Structure

General Information

  • Phase Label(s): Rb0.5K0.5Ti[PO4]O
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: oP64
  • Space Group: 33
  • Phase Prototype: KTi[PO4]O
  • Measurement Detail(s): automatic diffractometer; 142 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 148 variables; 2584 reflections; I > 3σ(I), R = 0.021; wR = 0.028
  • Sample Detail(s): sample prepared from K2CO3, Rb2CO3, NH4H2PO4, TiO2 rutile, single crystal (determination of cell parameters), single crystal, 0.19×0.20×0.23 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Rb0.14K0.86Ti[PO4]O
  • Alphabetic Formula: K0.86O[PO4]Rb0.14Ti
  • Published Formula: K0.86Rb0.14TiOPO4
  • Refined Formula: K0.86O5PRb0.14Ti
  • Wyckoff Sequence: 33,a16
  • Z Formula Units: 8
  • Density: ρ = 3.11 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002311

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied