Inorganic Solid Phases

ScFe1.5Si0.5D2.1 Crystal Structure

General Information

  • Phase Label(s): ScFe1.5Si0.5D2.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP58
  • Space Group: 194
  • Phase Prototype: Ti(V0.4Mn0.6)1.9H2.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Latvia, Salaspils, Institute of Physics research reactor, UNSA (determination of structural parameters), neutrons; λ = 0.136 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride, silicide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.246; wRP = 0.254; RB = 0.102
  • Sample Detail(s): sample prepared from ScFe1.5Si0.5, D2, chemical analysis; ScFe1.5Si0.5D2.1(1), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ScFe1.5Si0.5D2.1
  • Alphabetic Formula: D2.1Fe1.5ScSi0.5
  • Published Formula: ScFe1.5Si0.5D2.1
  • Refined Formula: D2.08Fe1.50ScSi0.50
  • Wyckoff Sequence: 194,lkh2f2a
  • Z Formula Units: 4
  • Density: ρ = 5.18 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_1923398

  • 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)

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