Inorganic Solid Phases

Al70Pd23Mn6Si (Mn31.3Pd124.6Al357.1) Crystal Structure

General Information

  • Phase Label(s): Mn31.3Pd124.6Al357.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP597
  • Space Group: 200
  • Phase Prototype: Mn31.3Pd124.6Al357.1
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Rigaku AFC6 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 165 variables; 2597 reflections; I > 2σ(I), R = 0.0623; wR = 0.1691
  • Sample Detail(s): sample prepared from Al, Pd, Mn, Si, electron microprobe analysis; Al69.5Pd23.0Mn6.2Si1.3; amounts of Al67.4Pd11.4Mn14.4Si6.8 and Al71.7Pd18.5Mn5.0Si4.8 (minor phase), single crystal (determination of cell parameters), single crystal, 0.15×0.18×0.23 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mn31.3Pd124.6Al357.1
  • Alphabetic Formula: Al357.1Mn31.3Pd124.6
  • Published Formula: Al70Pd23Mn6Si
  • Refined Formula: Al357.06Mn31.26Pd124.56
  • Wyckoff Sequence: 200,l13k11j7i4g2f2e2a
  • Z Formula Units: 1
  • Density: ρ = 4.95 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1001981

  • 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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