Inorganic Solid Phases

Ca0.95Na0.01Mg2.20Fe2+0.16Fe3+0.02Ti0.01Al3.33Si1.28O9.84(OH)1.98F0.18 (CaMg2.3Fe0.1Al3.2Si1.4O10[OH]2) Crystal Structure

General Information

  • Phase Label(s): CaMg2.3Fe0.1Al3.2Si1.4O10[OH]2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): clintonite
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: CaMg2(Mg0.05Al0.95)(Al0.74Si0.26)4O10[OH]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 493 reflections, R = 0.0270
  • Sample Detail(s): clintonite sample from Italy, Alps, Trentino-Alto Adige, Adamello massif, electron microprobe analysis; 18.08 wt.% SiO2, 0.20 wt.% TiO2, 40.10 wt.% Al2O3, 0.41 wt.% Fe2O3, 2.65 wt.% FeO, 20.89 wt.% MgO, 12.55 wt.% CaO, 0.10 wt.% Na2O, 4.20 wt.% H2O, 0.83 wt.% F, single crystal (determination of cell parameters), single crystal, 0.03×0.06×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.95Mg2.2Fe0.2Al3.3Si1.3O9.8[OH]2.2
  • Alphabetic Formula: Al3.3Ca0.95Fe0.2Mg2.2O9.8[OH]2.2Si1.3
  • Published Formula: Ca0.95Na0.01Mg2.20Fe2+0.16Fe3+0.02Ti0.01Al3.33Si1.28O9.84(OH)1.98F0.18
  • Refined Formula: Al3.35CaFe0.15H2Mg2.22O12Si1.28
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.10 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

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_1213411

  • 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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