Inorganic Solid Phases

(Si6.42Al1.58)(Al1.14Ti4+0.01Fe3+0.08Fe2+1.84Mg3.84Ca0.02)Na0.44O22F0.19(OH)1.81 (Na0.5Ca0.04Mg4.52Ti0.05Fe1.18Al2.9Si6.28O22[OH]1.92F0.08) Crystal Structure

General Information

  • Phase Label(s): Na0.5Ca0.04Mg4.52Ti0.05Fe1.18Al2.9Si6.28O22[OH]1.92F0.08
  • 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; 1804 reflections; F > 4σ(F), R = 0.026
  • Sample Detail(s): gedrite sample from Russia, Karelia, Shuyaratskaya, electron microprobe analysis, Mössbauer spectroscopy; (Si6.42Al1.58)(Al1.14Ti4+0.01Fe3+0.08Fe2+1.84Mg3.84Ca0.02)Na0.44O22F0.19[OH]1.81, single crystal (determination of cell parameters), single crystal, 0.03×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.44Ca0.02Mg3.84Ti0.01Fe1.92Al2.72Si6.42O22[OH]1.81F0.19
  • Alphabetic Formula: Al2.72Ca0.02F0.19Fe1.92Mg3.84Na0.44O22[OH]1.81Si6.42Ti0.01
  • Published Formula: (Si6.42Al1.58)(Al1.14Ti4+0.01Fe3+0.08Fe2+1.84Mg3.84Ca0.02)Na0.44O22F0.19(OH)1.81
  • Refined Formula: Al2.69Ca0.02Fe1.95H2Mg3.87Na0.44O24Si6.46Ti0.01
  • Wyckoff Sequence: 62,d17c6
  • Z Formula Units: 4
  • Density: ρ = 3.24 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_1221169

  • 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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