Inorganic Solid Phases

[Ca2.00, Na0.01][Fe0.82, Mn0.18, Mg0.05]2+[Fe0.93, Al0.08]3+Si4.93O14(OH); babingtonite (Na0.01Ca2.00Mg0.05Mn0.18Fe1.75Al0.08Si4.93O14[OH], T = 80 K) Crystal Structure

General Information

  • Phase Label(s): Na0.01Ca2.00Mg0.05Mn0.18Fe1.75Al0.08Si4.93O14[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): babingtonite
  • Pearson Symbol: aP48
  • Space Group: 2
  • Phase Prototype: Ca2(Mg0.6Mn0.13Fe0.81)2Si5O14[OH]
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D8 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), neutrons; λ = 0.12668 nm (determination of structural parameters), T = 568 K (determination of cell parameters), T = 80 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 450 variables, R = 0.027
  • Sample Detail(s): babingtonite sample from (Japan, Tokyo, University Museum), electron microprobe analysis; 53.32 wt.% SiO2, 0.65 wt.% Al2O3, 21.82 wt.% FeO, 2.20 wt.% MnO, 0.27 wt.% MgO, 19.59 wt.% CaO, 0.07 wt.% Na2O, 0.02 wt.% K2O, 0.07 wt.% Cr2O3, 0.24 wt.% P2O5, single crystal (determination of cell parameters), single crystal, 0.75×1.0×1.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.01Ca2.00Mg0.05Mn0.18Fe1.75Al0.08Si4.93O14[OH]
  • Alphabetic Formula: Al0.08Ca2.00Fe1.75Mg0.05Mn0.18Na0.01O14[OH]Si4.93
  • Published Formula: [Ca2.00, Na0.01][Fe0.82, Mn0.18, Mg0.05]2+[Fe0.93, Al0.08]3+Si4.93O14(OH); babingtonite
  • Refined Formula: Al0.08Ca1.97Fe1.70HMg0.05Mn0.17Na0.03O15Si5
  • Wyckoff Sequence: 2,i24
  • Z Formula Units: 2
  • Density: ρ = 3.34 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_1923452

  • 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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