Inorganic Solid Phases

K2Co0.5Ti1.5(PO4)3 (K2Ti1.5Co0.5[PO4]3) Crystal Structure

General Information

  • Phase Label(s): K2Ti1.5Co0.5[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP76
  • Space Group: 198
  • Phase Prototype: K2Mg2[SO4]3
  • Measurement Detail(s): automatic diffractometer; 340 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur 3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 62 variables; 927 reflections; I > 2σ(I), R = 0.0243; wR = 0.0677
  • Sample Detail(s): sample prepared from KPO3, K4P2O7, TiO2 rutile, CoCO3[Co[OH]2]x, energy-dispersive X-ray analysis; K/Ti/Co/P ratio 4/3/1/6, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2Ti1.5Co0.5[PO4]3
  • Alphabetic Formula: Co0.5K2[PO4]3Ti1.5
  • Published Formula: K2Co0.5Ti1.5(PO4)3
  • Refined Formula: Co0.50K2O12P3Ti1.50
  • Wyckoff Sequence: 198,b5a4
  • Z Formula Units: 4
  • Density: ρ = 3.23 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_1620310

  • 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