Inorganic Solid Phases

K3Ti3P5O20 (K3Ti3[PO4]3[P2O7]O) Crystal Structure

General Information

  • Phase Label(s): K3Ti3[PO4]3[P2O7]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP124
  • Space Group: 29
  • Phase Prototype: K3Ti3[PO4]3[P2O7]O
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, diphosphate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1164 reflections; I > 2σ(I), R = 0.052; wR = 0.059
  • Sample Detail(s): sample prepared from K2O, P2O5, TiO2 rutile, single crystal (determination of cell parameters), single crystal, 0.07×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Ti3[PO4]3[P2O7]O
  • Alphabetic Formula: K3O[PO4]3[P2O7]Ti3
  • Published Formula: K3Ti3P5O20
  • Refined Formula: K3O20P5Ti3
  • Wyckoff Sequence: 29,a31
  • Z Formula Units: 4
  • Density: ρ = 2.95 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0543794

  • 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