Inorganic Solid Phases

(Na0.01K0.01)(Li1.88Mg0.08Na0.03Fe0.01)(Mg1.00Fe0.98Mn0.01)(Al1.89Fe0.11)(Fe0.61Mg0.39)Si4Si4O22(OH1.97F0.03) (Na0.05Li1.88Mg1.49Fe1.71Al1.89Si8O22[OH]1.97F0.03) Crystal Structure

General Information

  • Phase Label(s): Na0.05Li1.88Mg1.49Fe1.71Al1.89Si8O22[OH]1.97F0.03
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): holmquistite
  • Pearson Symbol: oP156
  • Space Group: 62
  • Phase Prototype: Na0.1Li1.8Mg1.75Fe1.45Al1.95Si7.9O22.1[OH]1.9
  • Measurement Detail(s): automatic diffractometer; 3854 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 3854 reflections, R = 0.043; wR = 0.083
  • Sample Detail(s): holmquisite sample from Australia, Western Australia, Greenbushes, sample prepared from holmquisite, electron microprobe analysis, secondary ion mass spectrometry; Si8Al1.88Mg1.55Fe2+1.71Mn0.02Li1.88Na0.04K0.01O22F0.03OH1.97, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.05Li1.88Mg1.49Fe1.71Al1.89Si8O22[OH]1.97F0.03
  • Alphabetic Formula: Al1.89F0.03Fe1.71Li1.88Mg1.49Na0.05O22[OH]1.97Si8
  • Published Formula: (Na0.01K0.01)(Li1.88Mg0.08Na0.03Fe0.01)(Mg1.00Fe0.98Mn0.01)(Al1.89Fe0.11)(Fe0.61Mg0.39)Si4Si4O22(OH1.97F0.03)
  • Refined Formula: Al1.89F0.03Fe1.71H1.97Li1.88Mg1.48Mn0.01Na0.03O23.97Si8
  • Wyckoff Sequence: 62,d17c5
  • Z Formula Units: 4
  • Density: ρ = 3.14 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]

Powder Pattern

published defraction line
2θ [°]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601233

  • 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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