Inorganic Solid Phases

NaCaTa2O6F, (Na0.88Ca0.88Pb0.020.22)(Ta1.70Nb0.14Si0.12As0.04)[O5.75(OH)0.25](F0.730.27) (Na0.88Ca0.88Ta1.7Nb0.14Pb0.02Si0.12As0.04O5.75[OH]0.25F0.73) Crystal Structure

General Information

  • Phase Label(s): Na0.88Ca0.88Ta1.7Nb0.14Pb0.02Si0.12As0.04O5.75[OH]0.25F0.73
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s): fluornatromicrolite
  • Pearson Symbol: cF88
  • Space Group: 227
  • Phase Prototype: (Na0.5Ca0.5)2Nb2O6F
  • Measurement Detail(s): automatic diffractometer (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, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 11 variables; 107 reflections, R = 0.0286; wR = 0.0715
  • Sample Detail(s): microlite group sample from Brazil, Minas Gerais, Coronel Murta, Morro Redondo mine, electron microprobe analysis; (Na0.88Ca0.88Pb0.020.22)(Ta1.70Nb0.14Si0.12As0.04)(O5.75[OH]0.25)(F0.730.27), single crystal (determination of cell parameters), single crystal, 0.08×0.12×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.88Ca0.88Ta1.7Nb0.14Pb0.02Si0.12As0.04O5.75[OH]0.25F0.73
  • Alphabetic Formula: As0.04Ca0.88F0.73Na0.88Nb0.14O5.75[OH]0.25Pb0.02Si0.12Ta1.7
  • Published Formula: NaCaTa2O6F, (Na0.88Ca0.88Pb0.020.22)(Ta1.70Nb0.14Si0.12As0.04)[O5.75(OH)0.25](F0.730.27)
  • Refined Formula: As0.04Ca0.88F0.73H0.25Na0.88Nb0.14O6Pb0.02Si0.12Ta1.70
  • Wyckoff Sequence: 227,fdca
  • Z Formula Units: 8
  • Density: ρ = 5.80 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_1226363

  • 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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