Inorganic Solid Phases

NaAl1.5As0.5[As2O7]2 Crystal Structure

General Information

  • Phase Label(s): NaAl1.5As0.5[As2O7]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP22
  • Space Group: 2
  • Phase Prototype: Na(Al0.75As0.25)2[As2O7]2
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Ag Kα; λ = 0.05608 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diarsenate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 103 variables; 1102 reflections, R = 0.038; wR = 0.038
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.060×0.060×0.050 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaAl1.5As0.5[As2O7]2
  • Alphabetic Formula: Al1.5As0.5[As2O7]2Na
  • Published Formula: NaAl1.5As0.5[As2O7]2
  • Refined Formula: Al1.50As4.50NaO14
  • Wyckoff Sequence: 2,i10ha
  • Z Formula Units: 1
  • Density: ρ = 4.03 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_1901553

  • 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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