Inorganic Solid Phases

(Si6.24Al1.76)(Al1.20Ti4+0.02Fe3+0.15Fe2+2.30Mg3.18Mn0.06Ca0.04)Na0.56O22F0.05(OH)1.95 (Na0.56Ca0.04Mg3.18Mn0.06Fe2.45Al2.96Si6.24O22[OH]1.95F0.05) Crystal Structure

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; 1247 reflections; F > 4σ(F), R = 0.030
  • Sample Detail(s): gedrite sample from U.S.A. Massachusetts, electron microprobe analysis, Mössbauer spectroscopy; (Si6.24Al1.76)(Al1.20Ti4+0.02Fe3+0.15Fe2+2.30Mg3.18Mn0.06Ca0.04)Na0.56O22F0.05[OH]1.95, single crystal (determination of cell parameters), single crystal, 0.02×0.06×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.56Ca0.04Mg3.18Mn0.06Fe2.45Al2.96Si6.24O22[OH]1.95F0.05
  • Alphabetic Formula: Al2.96Ca0.04F0.05Fe2.45Mg3.18Mn0.06Na0.56O22[OH]1.95Si6.24
  • Published Formula: (Si6.24Al1.76)(Al1.20Ti4+0.02Fe3+0.15Fe2+2.30Mg3.18Mn0.06Ca0.04)Na0.56O22F0.05(OH)1.95
  • Refined Formula: Al2.83Ca0.04Fe2.47H2Mg3.20Mn0.06Na0.56O24Si6.38Ti0.02
  • Wyckoff Sequence: 62,d17c6
  • Z Formula Units: 4
  • Density: ρ = 3.30 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221183

  • 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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