Inorganic Solid Phases

(Na0.03)(Li1.98Na0.02)(Mg1.55Fe0.40Mn0.04Zn0.01)(Al1.34Fe0.66)(Mg0.80Fe0.20)Si4Si4O22(OH1.91F0.09) (Na0.05Li1.88Mg1.49Fe1.71Al1.89Si8O22[OH]1.97F0.03) Crystal Structure

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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; 3877 (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; 3877 reflections, R = 0.046; wR = 0.104
  • Sample Detail(s): holmquisite sample from Democratic Republic of Congo (Zaire), sample prepared from holmquisite, electron microprobe analysis, secondary ion mass spectrometry; Si8Al1.34Mg2.35Fe2+0.66Fe3+0.6Mn0.04Zn0.01Li1.98Na0.05O22F0.09OH1.91, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.05Li1.98Mg2.39Fe1.27Al1.34Si8O22[OH]1.91F0.09
  • Alphabetic Formula: Al1.34F0.09Fe1.27Li1.98Mg2.39Na0.05O22[OH]1.91Si8
  • Published Formula: (Na0.03)(Li1.98Na0.02)(Mg1.55Fe0.40Mn0.04Zn0.01)(Al1.34Fe0.66)(Mg0.80Fe0.20)Si4Si4O22(OH1.91F0.09)
  • Refined Formula: Al1.34F0.09Fe1.26H1.91Li1.98Mg2.35Mn0.04Na0.02O23.91Si8Zn0.01
  • Wyckoff Sequence: 62,d17c5
  • Z Formula Units: 4
  • Density: ρ = 3.07 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_1601237

  • 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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