Inorganic Solid Phases

(Si7.35Al0.65)(Al0.45Ti4+0.03Fe3+0.07Fe2+2.21Mg3.98Mn0.09Ca0.09)Na0.23O22F0.04(OH)1.96 (Na0.56Ca0.04Mg3.18Mn0.06Fe2.45Al2.96Si6.24O22[OH]1.95F0.05) Crystal Structure

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General Information

  • Phase Label(s): Na0.56Ca0.04Mg3.18Mn0.06Fe2.45Al2.96Si6.24O22[OH]1.95F0.05
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): gedrite
  • Pearson Symbol: oP160
  • Space Group: 62
  • Phase Prototype: Na0.5Mg4.5Fe1.5Al3Si6O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (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): positions of non-H atoms determined, least-squares refinement; 1698 reflections; F > 4σ(F), R = 0.059
  • Sample Detail(s): gedrite sample from U.S.A. New Hampshire, Amphibole Hill area, electron microprobe analysis, Mössbauer spectroscopy; (Si7.35Al0.65)(Al0.45Ti4+0.03Fe3+0.07Fe2+2.21Mg3.98Mn0.09Ca0.09)Na0.23O22F0.04[OH]1.96, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.23Ca0.09Mg3.98Mn0.09Fe2.34Al1.1Si7.35O22[OH]1.96F0.04
  • Alphabetic Formula: Al1.1Ca0.09F0.04Fe2.34Mg3.98Mn0.09Na0.23O22[OH]1.96Si7.35
  • Published Formula: (Si7.35Al0.65)(Al0.45Ti4+0.03Fe3+0.07Fe2+2.21Mg3.98Mn0.09Ca0.09)Na0.23O22F0.04(OH)1.96
  • Refined Formula: Al1.09Ca0.09Fe2.31H2Mg4.03Mn0.09Na0.23O24Si7.36Ti0.03
  • Wyckoff Sequence: 62,d17c6
  • Z Formula Units: 4
  • Density: ρ = 3.23 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221191

  • 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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