Inorganic Solid Phases

Ca4.72Na3.28Ti3.20Nb0.80[Si2O7]2O8F3 (Na3.28Ca4.72Ti3.20Nb0.80[Si2O7]2O8F3) Crystal Structure

General Information

  • Phase Label(s): Na3.28Ca4.72Ti3.20Nb0.80[Si2O7]2O8F3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fersmanite
  • Pearson Symbol: mS164
  • Space Group: 15
  • Phase Prototype: (Na0.4Ca0.6)8(Ti0.8Nb0.2)4[Si2O7]2O8F3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1495 reflections; I > 2σ(I), R = 0.059
  • Sample Detail(s): fersmanite sample from Russia, Kola Peninsula, Khibiny massif, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.28Ca4.72Ti3.20Nb0.80[Si2O7]2O8F3
  • Alphabetic Formula: Ca4.72F3Na3.28Nb0.80O8[Si2O7]2Ti3.20
  • Published Formula: Ca4.72Na3.28Ti3.20Nb0.80[Si2O7]2O8F3
  • Refined Formula: Ca4.72F3Na3.28Nb0.80O22Si4Ti3.20
  • Wyckoff Sequence: 15,f19e3
  • Z Formula Units: 4
  • Density: ρ = 3.19 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1405271

  • 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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