Inorganic Solid Phases

Zr(FexCr1−x)2Hy, x= 0.7, y= 2.5 (ZrCrFeH3.6) Crystal Structure

General Information

  • Phase Label(s): ZrCrFeH3.6
  • Structure Class(es): Frank-Kasper phase, Friauf-Laves phase
  • Classification by Properties: ferromagnet FM, metal
  • Mineral Name(s):
  • Pearson Symbol: hP12
  • Space Group: 194
  • Phase Prototype: MgZn2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydride
  • Interpretation Detail(s): part of atom coordinates determined; composition dependence studied, Rietveld refinement, R = 0.088
  • Sample Detail(s): sample prepared from ZrCr0.6Fe1.4, H2, considering weight increase during preparation; H content analyzed; multi-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ZrCr0.6Fe1.4H2.5
  • Alphabetic Formula: Cr0.6Fe1.4H2.5Zr
  • Published Formula: Zr(FexCr1−x)2Hy, x= 0.7, y= 2.5
  • Refined Formula:
  • Wyckoff Sequence: 194,hfa
  • Z Formula Units: 4
  • Density:

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_1612360

  • 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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