Inorganic Solid Phases

Ca2(Fe,Mn,Mg)FeHSi5O15 (Ca2Mg0.03Mn0.74Fe1.20Al0.03Si5O14[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.03Mn0.74Fe1.20Al0.03Si5O14[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): babingtonite/manganbabingtonite
  • Pearson Symbol: aP48
  • Space Group: 2
  • Phase Prototype: Ca2(Mg0.6Mn0.13Fe0.81)2Si5O14[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Hilger-Watts (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 3265 reflections; I > 2σ(I), R = 0.0612
  • Sample Detail(s): babingtonite sample from Japan, Fukushima Prefecture, Yakuki mine, (Ca3.85Mn0.11Na0.03K0.03)(Fe1.26Mn0.49Mg0.26)(Fe1.97Al0.01)(Si9.83Al0.17)O27.73OH2.27, single crystal (determination of cell parameters), single crystal, 0.27×0.42×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.94Mg0.13Mn0.31Fe1.62Al0.09Si4.91O14[OH]
  • Alphabetic Formula: Al0.09Ca1.94Fe1.62Mg0.13Mn0.31O14[OH]Si4.91
  • Published Formula: Ca2(Fe,Mn,Mg)FeHSi5O15
  • Refined Formula: Al0.10Ca1.94Fe1.64Mg0.14Mn0.28O15Si4.90
  • Wyckoff Sequence: 2,i24
  • Z Formula Units: 2
  • Density: ρ = 3.32 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415817

  • 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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