Inorganic Solid Phases

ScFe2D2.9 Crystal Structure

General Information

  • Phase Label(s): ScFe2D2.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP114
  • Space Group: 194
  • Phase Prototype: ScFe2H2.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Russia, Obninsk, Karpov Institute of Physical Chemistry, VVR-Ts reactor (determination of structural parameters), neutrons; λ = 0.128 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, full-profile refinement, RP = 0.077; wRP = 0.144
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ScFe2D2.9
  • Alphabetic Formula: D2.9Fe2Sc
  • Published Formula: ScFe2D2.9
  • Refined Formula: D2.92Fe2Sc
  • Wyckoff Sequence: 194,l2k3h2gf2e
  • Z Formula Units: 8
  • Density: ρ = 5.44 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0376612

  • 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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