Inorganic Solid Phases

Pr0.5Sr1.5Cr0.5Mn0.5O4−d, d= 0.0(2) (Sr1.5Pr0.5Cr0.5Mn0.5O4, T = 773 K) Crystal Structure

General Information

  • Phase Label(s): Sr1.5Pr0.5Cr0.5Mn0.5O4
  • Structure Class(es): Ruddlesden-Popper phase, high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: K2NiF4
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D20 (determination of structural parameters), neutrons; λ = 0.18696 nm (determination of structural parameters), T = 773 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.126; wRP = 0.0786; RB = 0.0234
  • Sample Detail(s): sample prepared from Pr6O11, Sr(CH3COO)2, Mn(CH3COO)2[H2O]4, Cr3(CH3COO)7[OH]2, amounts of SrCO3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr1.5Pr0.5Cr0.5Mn0.5O4
  • Alphabetic Formula: Cr0.5Mn0.5O4Pr0.5Sr1.5
  • Published Formula: Pr0.5Sr1.5Cr0.5Mn0.5O4−d, d= 0.0(2)
  • Refined Formula: Cr0.50Mn0.50O4Pr0.50Sr1.50
  • Wyckoff Sequence: 139,e2ca
  • Z Formula Units: 2
  • Density: ρ = 5.70 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_1022137

  • 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)

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