Inorganic Solid Phases

Fe7.6Ni0.4O6.35(OH)9.65Cl1.25 (Fe3.8Ni0.2Cl0.62O3.18[OH]4.82) Crystal Structure

General Information

  • Phase Label(s): Fe3.8Ni0.2Cl0.62O3.18[OH]4.82
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS26
  • Space Group: 12
  • Phase Prototype: KCr4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Scintag (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 29 variables; 147 reflections, RP = 0.101; wRP = 0.132; RB = 0.062
  • Sample Detail(s): electron microprobe analysis; 69-76 wt.% Fe2O3, 0.4-5.6 wt.% NiO, 3.6-6.3 wt.% Cl, 12-14 wt.% H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe3.8Ni0.2Cl0.62O3.18[OH]4.82
  • Alphabetic Formula: Cl0.62Fe3.8Ni0.2O3.18[OH]4.82
  • Published Formula: Fe7.6Ni0.4O6.35(OH)9.65Cl1.25
  • Refined Formula: Cl0.68Fe3.80H4.50Ni0.20O8
  • Wyckoff Sequence: 12,i6a
  • Z Formula Units: 2
  • Density: ρ = 3.72 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_1616842

  • 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