Inorganic Solid Phases

Na0.38(Na0.19Ce0.81)Cl3 (Na0.57Ce0.81Cl3) Crystal Structure

General Information

  • Phase Label(s): Na0.57Ce0.81Cl3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP10
  • Space Group: 176
  • Phase Prototype: K0.33(K0.17La0.83)Cl3
  • Measurement Detail(s): Guinier-Simon film (determination of cell parameters), automatic diffractometer; Siemens-STOE AED2 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0108; wR = 0.0106
  • Sample Detail(s): sample prepared from CeCl3, Na, multi-phase sample, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.57Ce0.81Cl3
  • Alphabetic Formula: Ce0.81Cl3Na0.57
  • Published Formula: Na0.38(Na0.19Ce0.81)Cl3
  • Refined Formula: Ce0.81Cl3Na0.57
  • Wyckoff Sequence: 176,hcb
  • Z Formula Units: 2
  • Density: ρ = 3.62 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1706852

  • 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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