Inorganic Solid Phases

Fe2.05Mg1.23Co0.55Ti0.13Zn0.04Mn0.04Al17.94Si7.46O44(OH)4 (Mg1.23Fe2.05Co0.55Al17.94Si7.46O44[OH]4) Crystal Structure

General Information

  • Phase Label(s): Mg1.23Fe2.05Co0.55Al17.94Si7.46O44[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: Fe1.75Al9Si4O20(O0.675[OH]0.375)4
  • Measurement Detail(s): diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P3 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1011 reflections; I > 3σ(I), R = 0.034; wR = 0.033
  • Sample Detail(s): electron microprobe analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.23×0.23×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.6Fe1.0Co0.3Al9.0Si3.7O21.6[OH]2.4
  • Alphabetic Formula: Al9.0Co0.3Fe1.0Mg0.6O21.6[OH]2.4Si3.7
  • Published Formula: Fe2.05Mg1.23Co0.55Ti0.13Zn0.04Mn0.04Al17.94Si7.46O44(OH)4
  • Refined Formula: Al8.98Co0.29Fe1.09Mg0.62O24Si3.70
  • Wyckoff Sequence: 12,j7i3hgdcba
  • Z Formula Units: 2
  • Density: ρ = 3.69 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]

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_2090169

  • 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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