Inorganic Solid Phases

Yb6.7Ca24.7Ni9Zn54, Yb6.7+xCa24.7−yNi9Zn54 (Ca0.82Zn1.8Yb0.22Ni0.3) Crystal Structure

General Information

  • Phase Label(s): Ca0.82Zn1.8Yb0.22Ni0.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP96
  • Space Group: 191
  • Phase Prototype: CaCu0.98Al1.12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 69 variables; 990 reflections, R = 0.1239; wR = 0.1863
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.82Zn1.8Yb0.22Ni0.3
  • Alphabetic Formula: Ca0.82Ni0.3Yb0.22Zn1.8
  • Published Formula: Yb6.7Ca24.7Ni9Zn54, Yb6.7+xCa24.7−yNi9Zn54
  • Refined Formula: Ca0.82Ni0.30Yb0.22Zn1.80
  • Wyckoff Sequence: 191,qo2n2ml2jhge2a
  • Z Formula Units: 30
  • Density: ρ = 5.39 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_1223271

  • 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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