Inorganic Solid Phases

(Na1.03Pb0.34Ca0.17U0.10Th0.01Ce0.12La0.05Y0.02Nd0.01)(Nb1.88Ti0.08Ta0.06Sn0.01)O6.21F0.79 (Na1.03Ca0.2Ce0.2U0.11Ti0.09Ta0.06Nb1.88Pb0.34O6.21F0.79) Crystal Structure

General Information

  • Phase Label(s): Na1.03Ca0.2Ce0.2U0.11Ti0.09Ta0.06Nb1.88Pb0.34O6.21F0.79
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): fluornatropyrochlore
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; F2 > 2σ(F2), R = 0.053
  • Sample Detail(s): fluornatropyrochlore sample from China, Xinjiang Autonomeous Region, Akesu, Baicheng County, Boziguoer, electron microprobe analysis; (Na1.03Pb0.34Ca0.17U0.10Th0.01Ce0.12La0.05Y0.02Nd0.01)(Nb1.88Ti0.08Ta0.06Sn0.01)O6.21F0.79, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.03Ca0.2Ce0.2U0.11Ti0.09Ta0.06Nb1.88Pb0.34O6.21F0.79
  • Alphabetic Formula: Ca0.2Ce0.2F0.79Na1.03Nb1.88O6.21Pb0.34Ta0.06Ti0.09U0.11
  • Published Formula: (Na1.03Pb0.34Ca0.17U0.10Th0.01Ce0.12La0.05Y0.02Nd0.01)(Nb1.88Ti0.08Ta0.06Sn0.01)O6.21F0.79
  • Refined Formula: FNa1.53Nb2O6Pb0.47
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 5.28 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1239785

  • 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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