Inorganic Solid Phases

NaAl(AsO4)F; (Na0.95Li0.05)(Al0.91Fe0.09)(AsO4)(F0.73OH0.27) (Na0.95Li0.05Fe0.09Al0.91[AsO4][OH]0.27F0.73) Crystal Structure

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General Information

  • Phase Label(s): Na0.95Li0.05Fe0.09Al0.91[AsO4][OH]0.27F0.73
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): durangite
  • Pearson Symbol: mS32
  • Space Group: 15
  • Phase Prototype: NaAl[PO4]F
  • Measurement Detail(s): automatic diffractometer; 2164 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, hydroxide, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 44 variables; 641 reflections; I > 2σ(I), R = 0.013; wR = 0.033
  • Sample Detail(s): durangite sample from Mexico, Durango, Coneto de Comonfort, electron microprobe analysis; (Na0.95Li0.05)(Al0.91Fe3+0.07Mn3+0.02)[AsO4](F0.73[OH]0.27), single crystal (determination of cell parameters), single crystal, 0.09×0.0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.95Li0.05Fe0.09Al0.91[AsO4][OH]0.27F0.73
  • Alphabetic Formula: Al0.91[AsO4]F0.73Fe0.09Li0.05Na0.95[OH]0.27
  • Published Formula: NaAl(AsO4)F; (Na0.95Li0.05)(Al0.91Fe0.09)(AsO4)(F0.73OH0.27)
  • Refined Formula: Al0.91AsF0.73Fe0.09H0.27Li0.05Na0.95O4.27
  • Wyckoff Sequence: 15,f2e3a
  • Z Formula Units: 4
  • Density: ρ = 3.92 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]

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_1635352

  • 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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