Inorganic Solid Phases

(Mn1.86Fe3+0.61Mg0.54)(Si1.36Fe3+0.64)O5(OH)4 (Mg0.54Mn1.86Fe1.24Si1.36O5[OH]4) Crystal Structure

General Information

  • Phase Label(s): Mg0.54Mn1.86Fe1.24Si1.36O5[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): guidottiite 2H2
  • Pearson Symbol: hP28
  • Space Group: 173
  • Phase Prototype: (Mg0.67Al0.33)3(Al0.5Si0.5)2O5[OH]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (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, full-matrix least-squares refinement; 631 reflections; I > 3σ(I), R = 0.072; wR = 0.108
  • Sample Detail(s): guidottiite sample from South Africa, Northern Cape Province, Kalahari manganese field, N'Chwaning mine, electron microprobe analysis; (Mn1.86Fe3+0.61Mg0.54)(Si1.36Fe3+0.64)O5[OH]4; amounts of unidentified phase, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.54Mn1.86Fe1.24Si1.36O5[OH]4
  • Alphabetic Formula: Fe1.24Mg0.54Mn1.86O5[OH]4Si1.36
  • Published Formula: (Mn1.86Fe3+0.61Mg0.54)(Si1.36Fe3+0.64)O5(OH)4
  • Refined Formula: Fe1.29H4Mg0.54Mn1.86O9Si1.31
  • Wyckoff Sequence: 173,c3b3a2
  • Z Formula Units: 2
  • Density: ρ = 3.23 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1931380

  • 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

    Citation copied