Inorganic Solid Phases

NaxCa1−x[(Zr,Ti)1+xAl1−x](PO4)3, referred to as U1 (Na0.1Ca0.9Zr0.55Ti0.55Al0.9[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Na0.1Ca0.9Zr0.55Ti0.55Al0.9[PO4]3
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR108
  • Space Group: 167
  • Phase Prototype: NaZr2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), X-rays, Cu Kα1; λ = 0.154056 nm (determination of cell parameters), T = 293 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): cell parameters determined and structure type assigned; temperature dependence studied
  • Sample Detail(s): sample prepared from Na2O-CaO-Al2O3-P2O5-F, ZrO2, TiO2 rutile, chemical analysis; 41.3 mol.% P2O5, 14.9 mol.% Al2O3 and TiO2 each, 13.2 mol.% ZrO2, 9.1 mol.% Na2O and 6.6 mol.% CaO, powder (determination of cell parameters)

Substance Summary

  • Standard Formula: Na0.1Ca0.9Zr0.55Ti0.55Al0.9[PO4]3
  • Alphabetic Formula: Al0.9Ca0.9Na0.1[PO4]3Ti0.55Zr0.55
  • Published Formula: NaxCa1−x[(Zr,Ti)1+xAl1−x](PO4)3, referred to as U1
  • Refined Formula:
  • Wyckoff Sequence:
  • Z Formula Units: 6
  • Density: ρ = 3.18 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.

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1400597

  • 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)

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