Inorganic Solid Phases

Sr0.5Sm0.5FCl0.5Br0.5 (Sr0.7Sm0.3Br0.56Cl0.44F) Crystal Structure

General Information

  • Phase Label(s): Sr0.7Sm0.3Br0.56Cl0.44F
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: tP6
  • Space Group: 129
  • Phase Prototype: PbClF
  • Measurement Detail(s): X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 12 variables, R = 0.022; wR = 0.019
  • Sample Detail(s): sample prepared from Sr0.5Sm0.5FCl0.5Br0.5, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.7Sm0.3Br0.56Cl0.44F
  • Alphabetic Formula: Br0.56Cl0.44FSm0.3Sr0.7
  • Published Formula: Sr0.5Sm0.5FCl0.5Br0.5
  • Refined Formula: Br0.56Cl0.44FSm0.30Sr0.70
  • Wyckoff Sequence: 129,c2a
  • Z Formula Units: 2
  • Density: ρ = 4.88 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]
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_1120958

  • 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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