Inorganic Solid Phases

Sr11Mo4−xNbxO23−d, x= 0.5 (Sr11NbMo3O22.5 ht, T = 973 K) Crystal Structure

General Information

  • Phase Label(s): Sr11NbMo3O22.5 ht
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF504
  • Space Group: 227
  • Phase Prototype: Ba11W4O23
  • Measurement Detail(s): automatic diffractometer; Switzerland, Villigen, Paul Scherrer Institute, Laboratory for Neutron Scattering, SINQ, HRPT (determination of structural parameters), neutrons; λ = 0.1494 nm (determination of structural parameters), T = 973 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.053; wRP = 0.066; RB = 0.107
  • Sample Detail(s): sample prepared from Sr[NO3]2, [NH4]6Mo7O24[H2O]4, Nb2O5, oxalic acid, amounts of SrMoO4 (3.1 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr11Nb0.5Mo3.5O22.75
  • Alphabetic Formula: Mo3.5Nb0.5O22.75Sr11
  • Published Formula: Sr11Mo4−xNbxO23−d, x= 0.5
  • Refined Formula: Mo3.50Nb0.50O24.24Sr11
  • Wyckoff Sequence: 227,hg3fedca
  • Z Formula Units: 8
  • Density: ρ = 4.97 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]

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_1532792

  • 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