Inorganic Solid Phases

Li4Sr3Nb5.77Fe0.23O19.77 (Li2Sr1.5Nb2.88Fe0.12O9.88) Crystal Structure

General Information

  • Phase Label(s): Li2Sr1.5Nb2.88Fe0.12O9.88
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI34
  • Space Group: 139
  • Phase Prototype: LiCa2Ta3O10
  • Measurement Detail(s): automatic diffractometer; 28 (determination of cell parameters), automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 27 variables; 562 reflections; F > 4σ(F), R = 0.0263; wR = 0.0377
  • Sample Detail(s): sample prepared from Li2CO3, SrCO3, Nb2O5, Fe2O3 (hematite), energy-dispersive X-ray analysis; Li4Sr3.0(3)Nb6.0(3)Fe0.2(1)O20(2), single crystal (determination of cell parameters), single crystal, 0.038×0.190×0.304 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2Sr1.5Nb2.885Fe0.115O9.885
  • Alphabetic Formula: Fe0.115Li2Nb2.885O9.885Sr1.5
  • Published Formula: Li4Sr3Nb5.77Fe0.23O19.77
  • Refined Formula: Fe0.12Li2Nb2.88O10Sr1.51
  • Wyckoff Sequence: 139,jge4da
  • Z Formula Units: 2
  • Density: ρ = 4.73 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
U [nm2]
Type
Computed
Beq [nm2]

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_1414176

  • 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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