Inorganic Solid Phases

Na1.3Zr1.832P3O12 (Na1.4Zr1.9[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Na1.4Zr1.9[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR180
  • Space Group: 167
  • Phase Prototype: Na1.4Zr1.9[PO4]3
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined; anharmonic displacement parameters determined, least-squares refinement; 695 reflections; I > 3σ(I), R = 0.016; wR = 0.021
  • Sample Detail(s): sample from synthetic, sample prepared from NASICON, NaPO3, NaCl, NaF, inductive coupled plasma method; Na1.32(3)Zr2.005(6)P2.93(6)O12; no Si detected; other phases: β-SiO2 tridymite, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.4Zr1.9[PO4]3
  • Alphabetic Formula: Na1.4[PO4]3Zr1.9
  • Published Formula: Na1.3Zr1.832P3O12
  • Refined Formula: NaO12P3Zr1.89
  • Wyckoff Sequence: 167,f4ecb
  • Z Formula Units: 6
  • Density: ρ = 3.19 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2070128

  • 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