Inorganic Solid Phases

ZrMn2D3 (T = 300 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): ZrMn2D3
  • Structure Class(es): –
  • Classification by Properties: metal
  • Mineral Name(s): –
  • Pearson Symbol: hP60
  • Space Group: 194
  • Phase Prototype: ZrMn2H3
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Switzerland, Würenlingen, Paul Scherrer Institute, SAPHIR reactor (determination of structural parameters), X-rays, Fe Kα (determination of cell parameters), neutrons; λ = 0.2346 nm (determination of structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0107; RB = 0.04
  • Sample Detail(s): sample prepared from Zr, Mn, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ZrMn2D3
  • Alphabetic Formula: D3Mn2Zr
  • Published Formula: ZrMn2D3
  • Refined Formula: D2.75Mn2Zr
  • Wyckoff Sequence: 194,lkh3fa
  • Z Formula Units: 4
  • Density: ρ = 6.25 Mg·m−3
View 3D Interactive Structure

Cite this page

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_0549055

  • 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

    Download this citation

    Citation copied