Inorganic Solid Phases

Na(Al1−xCrx)P2O7, x= 0.50 (NaCr0.50Al0.50[P2O7]) Crystal Structure

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General Information

  • Phase Label(s): NaCr0.50Al0.50[P2O7]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP44
  • Space Group: 14
  • Phase Prototype: NaFe[P2O7]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): diphosphate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 57 variables; 1673 reflections, R = 0.0222; RP = 0.0446; wRP = 0.0615
  • Sample Detail(s): sample prepared from NaH2PO4, NH4H2PO4, Cr2O3, Al[OH]3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCr0.50Al0.50[P2O7]
  • Alphabetic Formula: Al0.50Cr0.50[P2O7]Na
  • Published Formula: Na(Al1−xCrx)P2O7, x= 0.50
  • Refined Formula: Al0.50Cr0.50NaO7P2
  • Wyckoff Sequence: 14,e11
  • Z Formula Units: 4
  • Density: ρ = 3.20 Mg·m−3
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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_1722183

  • 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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