Inorganic Solid Phases

Sm1.6Sr0.4NiO4 (Sr0.5Sm1.5NiO4) Crystal Structure

General Information

  • Phase Label(s): Sr0.5Sm1.5NiO4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oF28
  • Space Group: 69
  • Phase Prototype: CuLa2O4
  • Measurement Detail(s): automatic diffractometer; Rigaku D/MAX-IIIB (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 22 variables, RP = 0.0836; wRP = 0.1162; RB = 0.0318
  • Sample Detail(s): sample prepared from Sr[NO3]2, Ni[NO3]2, Sm[NO3]2, citric acid, chemical analysis; Ni14.77O56.08Sm23.18Sr5.96, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.4Sm1.6NiO4
  • Alphabetic Formula: NiO4Sm1.6Sr0.4
  • Published Formula: Sm1.6Sr0.4NiO4
  • Refined Formula: NiO4Sm1.60Sr0.40
  • Wyckoff Sequence: 69,i2ea
  • Z Formula Units: 4
  • Density: ρ = 7.52 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1905446

  • 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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