Inorganic Solid Phases

Na0.46Ca1.696Mg3.56Ti0.054Fe1.313Al1.005Si7.269O22[OH]1.8F0.2 (Na0.46Ca1.70Mg3.56Ti0.05Fe1.31AlSi7.27O22[OH]1.8F0.2) Crystal Structure

General Information

  • Phase Label(s): Na0.46Ca1.70Mg3.56Ti0.05Fe1.31AlSi7.27O22[OH]1.8F0.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesio-hornblende
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na0.46Ca1.70Mg3.56Ti0.05Fe1.31Al0.27(Al0.09Si0.91)8O22([OH]0.9F0.1)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5R (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (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; 988 reflections; F > 4σ(F), R = 0.0275; wR = 0.0689
  • Sample Detail(s): magnesiohornblende sample from Finland, Saaksjarvi area, electron microprobe analysis; 50.16 wt.% SiO2, 16.42 wt.% MgO, 10.88 wt.% CaO, 10.55 wt.% FeO, 5.85 wt.% Al2O3, 1.59 wt.% Na2O, 0.49 wt.% TiO2, 0.23 wt.% MnO, 0.03 wt.% F, 0.01 wt.% K2O, < 0.01 wt.% Cl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.46Ca1.70Mg3.56Ti0.05Fe1.31AlSi7.27O22[OH]1.8F0.2
  • Alphabetic Formula: AlCa1.70F0.2Fe1.31Mg3.56Na0.46O22[OH]1.8Si7.27Ti0.05
  • Published Formula: Na0.46Ca1.696Mg3.56Ti0.054Fe1.313Al1.005Si7.269O22[OH]1.8F0.2
  • Refined Formula: AlCa1.66F0.20Fe1.35H1.80Mg3.47Na0.48O23.80Si7.28Ti0.06
  • Wyckoff Sequence: 12,j7i2h3g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.11 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_1818660

  • 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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