Inorganic Solid Phases

Na4TiP2O9 (Na4Ti[PO4]2O rt) Crystal Structure

General Information

  • Phase Label(s): Na4Ti[PO4]2O rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP34
  • Space Group: 13
  • Phase Prototype: Na4Ti[PO4]2O
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 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): average structure determined; refinement in superspace, least-squares refinement; 184 variables; 3056 reflections; I > 3σ(I), R = 0.080; wR = 0.091
  • Sample Detail(s): sample prepared from Na2CO3, TiO2 rutile, NH4H2PO4, single crystal (determination of cell parameters), single crystal, 0.15 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Ti[PO4]2O
  • Alphabetic Formula: Na4O[PO4]2Ti
  • Published Formula: Na4TiP2O9
  • Refined Formula: Na3.91O9P2Ti
  • Wyckoff Sequence: 13,g6fe2db
  • Z Formula Units: 2
  • Density: ρ = 2.79 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002257

  • 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