Inorganic Solid Phases

Sr2Fe1.33Mo0.66O6−d, d= 0.19(2) (Sr2MoFeO6 ht, T = 450 K) Crystal Structure

General Information

  • Phase Label(s): Sr2MoFeO6 ht
  • Structure Class(es): perovskite
  • Classification by Properties: ferrimagnet FiM, ferromagnet FM, metal, nonmetal, semiconductor, semimetal
  • Mineral Name(s):
  • Pearson Symbol: cF40
  • Space Group: 225
  • Phase Prototype: Ba2CaWO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.1594 nm (determination of cell and structural parameters), T = 450 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.0365; wRP = 0.0552; RB = 0.0187
  • Sample Detail(s): sample prepared from Sr[NO3]2, Fe[NO3]3[H2O]9, [NH4]6Mo7O24[H2O]4, citric acid, thermogravimetry; amounts of SrMoO4 (5.8 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr2Mo0.67Fe1.33O5.81
  • Alphabetic Formula: Fe1.33Mo0.67O5.81Sr2
  • Published Formula: Sr2Fe1.33Mo0.66O6−d, d= 0.19(2)
  • Refined Formula: Fe1.33Mo0.67O5.81Sr2
  • Wyckoff Sequence: 225,ecba
  • Z Formula Units: 4
  • Density: ρ = 5.49 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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1631035

  • 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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