Inorganic Solid Phases

CeBr2H0.87 Crystal Structure

General Information

  • Phase Label(s): CeBr2H0.87
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR18
  • Space Group: 160
  • Phase Prototype: CeBr2H0.87
  • Measurement Detail(s): Guinier-Simon film (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Ag Kα; λ = 0.056087 nm (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, hydride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 147 reflections; F > 3σ(F), R = 0.058; wR = 0.083
  • Sample Detail(s): sample prepared from CeBr3, CeHx, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: CeBr2H0.87
  • Alphabetic Formula: Br2CeH0.87
  • Published Formula: CeBr2H0.87
  • Refined Formula: Br1.94CeH
  • Wyckoff Sequence: 160,a6
  • Z Formula Units: 3
  • Density: ρ = 5.01 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]
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_1707574

  • 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

    Citation copied