Inorganic Solid Phases

Ca2Na(Zr,Nb)[Si2O7](O,F)2 (Na2Ca4ZrNb[Si2O7]2O2F2) Crystal Structure

General Information

  • Phase Label(s): Na2Ca4ZrNb[Si2O7]2O2F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): wöhlerite
  • Pearson Symbol: mP60
  • Space Group: 4
  • Phase Prototype: Na2Ca4Zr(Zr0.5Nb0.5)[Si2O7]2O2(O0.5F0.5)F
  • Measurement Detail(s): rotation and Weissenberg photographs (determination of cell and structural parameters), X-rays, Mo K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, trial-and-error
  • Sample Detail(s): velerite sample from Norway, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ca4ZrNb[Si2O7]2O2F2
  • Alphabetic Formula: Ca4F2Na2NbO2[Si2O7]2Zr
  • Published Formula: Ca2Na(Zr,Nb)[Si2O7](O,F)2
  • Refined Formula: Ca4F2Na2NbO16Si4Zr
  • Wyckoff Sequence: 4,a30
  • Z Formula Units: 2
  • Density: ρ = 3.48 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812534

  • 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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