Inorganic Solid Phases

Na(Ca,Li,Na)6(Mg,Fe)12(AsO3)2[Fe(AsO3)6]F14 (NaLi1.2Ca4.4Mg11.6Fe1.3Al0.3[AsO3]8F14) Crystal Structure

General Information

  • Phase Label(s): NaLi1.2Ca4.4Mg11.6Fe1.3Al0.3[AsO3]8F14
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): nanlingite
  • Pearson Symbol: hR216
  • Space Group: 166
  • Phase Prototype: NaLi1.2Ca4.4Mg11.6Fe1.3Al0.3[AsO3]8F14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 75 variables; 1821 reflections, R = 0.0263; wR = 0.0502
  • Sample Detail(s): nanlingite sample from China, Hunan Province, Nanling, electron microprobe analysis, Mössbauer spectroscopy; (Na0.90Li0.10)(Ca4.41Li1.06Mg0.17Na0.06Mn0.050.25)(Mg11.38Fe3+0.30Al0.29Ti0.03)[AsO3]2(Fe2+[AsO3]6)F13.77[OH]0.16, single crystal (determination of cell parameters), single crystal, 0.075×0.100×0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaLi1.2Ca4.4Mg11.6Fe1.3Al0.3[AsO3]8F14
  • Alphabetic Formula: Al0.3[AsO3]8Ca4.4F14Fe1.3Li1.2Mg11.6Na
  • Published Formula: Na(Ca,Li,Na)6(Mg,Fe)12(AsO3)2[Fe(AsO3)6]F14
  • Refined Formula: As8Ca4.36F14Fe2.03Li1.42Mg10.97Na1.22O24
  • Wyckoff Sequence: 166,ih8fc2ba
  • Z Formula Units: 3
  • Density: ρ = 3.91 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
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_1226556

  • 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

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