Inorganic Solid Phases

(Na0.75La0.19Ca0.06)(Nb0.50Ti0.50)O3 (Na0.75Ca0.06La0.19Ti0.5Nb0.5O3) Crystal Structure

General Information

  • Phase Label(s): Na0.75Ca0.06La0.19Ti0.5Nb0.5O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s): isolueshite
  • Pearson Symbol: cP14
  • Space Group: 221
  • Phase Prototype: CsPbCl3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 104 reflections; I > 2σ(I), R = 0.031; wR = 0.061
  • Sample Detail(s): isolueshite sample from Russia, Kola Peninsula, Khibiny massif, sample prepared from isolueshite, electron microprobe analysis; (Na0.713K0.002Ca0.081Sr0.032La0.051Ce0.031Pr0.001Nd0.002Th0.007)(Nb0.650Ta0.004Ti0.345)O2.879[OH]0.121, single crystal (determination of cell parameters), single crystal, 0.4×0.4×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.75Ca0.06La0.19Ti0.5Nb0.5O3
  • Alphabetic Formula: Ca0.06La0.19Na0.75Nb0.5O3Ti0.5
  • Published Formula: (Na0.75La0.19Ca0.06)(Nb0.50Ti0.50)O3
  • Refined Formula: Ca0.06La0.19Na0.75Nb0.50O3Ti0.50
  • Wyckoff Sequence: 221,hba
  • Z Formula Units: 1
  • Density: ρ = 4.57 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_1601704

  • 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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