Inorganic Solid Phases

K1.00Cr0.02Ti0.98OPO4 (KTi0.98Cr0.02[PO4]O) Crystal Structure

General Information

  • Phase Label(s): KTi0.98Cr0.02[PO4]O
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP76
  • Space Group: 33
  • Phase Prototype: K0.55Li0.45Ti[PO4]O
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (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, least-squares refinement on F2; 163 variables; 7308 reflections; I > 3σ(I), R = 0.014; wR = 0.020
  • Sample Detail(s): sample prepared from K2CO3, KPO3, TiO2, Cr2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KTi0.98Cr0.02[PO4]O
  • Alphabetic Formula: Cr0.02[PO4]KOTi0.98
  • Published Formula: K1.00Cr0.02Ti0.98OPO4
  • Refined Formula: Cr0.02KO5PTi0.98
  • Wyckoff Sequence: 33,a20
  • Z Formula Units: 8
  • Density: ρ = 3.03 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1945848

  • 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

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