Inorganic Solid Phases

(Cs0.22K0.01)(Na0.45Sb0.39Pb0.14Ca0.06Bi0.02)(Ta1.95Nb0.05)(O5.78[OH,F]0.22)(OH,F)0.55; cesstibtantite (Cs0.23Na0.45Ca0.06Ta1.95Nb0.05Pb0.14Bi0.02Sb0.39O5.78[OH]0.77) Crystal Structure

General Information

  • Phase Label(s): Cs0.23Na0.45Ca0.06Ta1.95Nb0.05Pb0.14Bi0.02Sb0.39O5.78[OH]0.77
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): hydroxykenomicrolite
  • Pearson Symbol: cF168
  • Space Group: 227
  • Phase Prototype: (Nb0.57Fe0.43)2Fe0.19Bi1.72O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 104 reflections; F > 3σ(F), R = 0.039; wR = 0.037
  • Sample Detail(s): cesstibtantite sample from Canada, Manitoba, Bernic Lake, Tanco deposit, chemical analysis; 2.4 wt.% Na2O, 0.05 wt.% K2O, 5.4 wt.% Cs2O, 0.6 wt.% CaO, 0.1 wt.% SnO, 5.3 wt.% PbO, 9.7 wt.% Sb2O3, 0.6 wt.% Bi2O3, 1.2 wt.% Nb2O5, 72.5 wt.% Ta2O5, single crystal (determination of cell parameters), single crystal, 0.03×0.12×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.23Na0.45Ca0.06Ta1.95Nb0.05Pb0.14Bi0.02Sb0.39O5.78[OH]0.77
  • Alphabetic Formula: Bi0.02Ca0.06Cs0.23Na0.45Nb0.05O5.78[OH]0.77Pb0.14Sb0.39Ta1.95
  • Published Formula: (Cs0.22K0.01)(Na0.45Sb0.39Pb0.14Ca0.06Bi0.02)(Ta1.95Nb0.05)(O5.78[OH,F]0.22)(OH,F)0.55; cesstibtantite
  • Refined Formula: Bi0.02Ca0.06Cs0.23H0.77Na0.45Nb0.05O6.55Pb0.14Sb0.39Ta1.95
  • Wyckoff Sequence: 227,gfcb
  • Z Formula Units: 8
  • Density: ρ = 6.74 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]

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_1924800

  • 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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