Inorganic Solid Phases

(☐,H2O)2Ta2(O,OH)6(H2O) (Cs0.03Ba0.34Sr0.3U0.16Ta1.75Nb0.1Sn0.1Si0.05O5.8[OH]0.2[H2O]1.45) Crystal Structure

General Information

  • Phase Label(s): Cs0.03Ba0.34Sr0.3U0.16Ta1.75Nb0.1Sn0.1Si0.05O5.8[OH]0.2[H2O]1.45
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): hydrokenomicrolite
  • Pearson Symbol: cF120
  • Space Group: 227
  • Phase Prototype: K1.17Bi2.33O5.87[H2O]1.11
  • Measurement Detail(s): automatic diffractometer; 331 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 16 variables; 86 reflections; I > 2σ(I), R = 0.0363; wR = 0.0931
  • Sample Detail(s): hydrokenomicrolite sample from Brazil, Minas Gerais, Nazareno, Volta Grande mine, wavelength-dispersive X-ray spectroscopy; (☐0.71[H2O]0.48Ba0.33Sr0.27U0.10Mn0.02Nd0.02Ce0.02La0.02Ca0.01Bi0.01Pb0.01)(Ta1.75Nb0.10Sn0.10Si0.04Ti0.01)(O5.77[OH]0.23)([H2O]0.97Cs0.03), single crystal (determination of cell parameters), single crystal, 0.104×0.170×0.197 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.03Ba0.34Sr0.3U0.16Ta1.75Nb0.1Sn0.1Si0.05O5.8[OH]0.2[H2O]1.45
  • Alphabetic Formula: Ba0.34Cs0.03[H2O]1.45Nb0.1O5.8[OH]0.2Si0.05Sn0.1Sr0.3Ta1.75U0.16
  • Published Formula: (☐,H2O)2Ta2(O,OH)6(H2O)
  • Refined Formula: Ba0.33Ce0.03Cs0.03H3.10La0.03Mn0.03Nb0.10Nd0.03O7.43Si0.04Sn0.10Sr0.27Ta1.75Ti0.01U0.10
  • Wyckoff Sequence: 227,fedca
  • Z Formula Units: 8
  • Density: ρ = 6.70 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_1230497

  • 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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