Inorganic Solid Phases

FeCl3 polytype III (FeCl3 12-lay) Crystal Structure

General Information

  • Phase Label(s): FeCl3 12-lay
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP96
  • Space Group: 147
  • Phase Prototype: FeCl3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 79 variables; 1165 reflections; I > 2σ(I), R = 0.095; wR = 0.100
  • Sample Detail(s): sample prepared from Fe, Cl2, other phases: FeCl3 I and FeCl3 II, single crystal (determination of cell parameters), single crystal, 0.03×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: FeCl3
  • Alphabetic Formula: Cl3Fe
  • Published Formula: FeCl3 polytype III
  • Refined Formula: Cl3Fe
  • Wyckoff Sequence: 147,g12d8c4
  • Z Formula Units: 24
  • Density: ρ = 2.91 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_1252086

  • 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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