Inorganic Solid Phases

Na0.97(Ca0.70Na0.26)(Fe2+0.20Fe3+0.11Nb0.09Mn0.33Ca0.24)(Zr0.73Ti0.26)O(F,OH)[Si2O7] (Na1.3CaZr0.7Ti0.3Mn0.4Fe0.4[Si2O7]O[OH]0.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Na1.3CaZr0.7Ti0.3Mn0.4Fe0.4[Si2O7]O[OH]0.5F0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lavenite
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: Na1.3Ca(Zr0.7Ti0.3)Mn0.4Fe0.4[Si2O7]O([OH]0.5F0.5)
  • Measurement Detail(s): Weissenberg photographs (determination of cell parameters), Laue and Weissenberg photographs (determination of structural parameters), X-rays, Mo K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, trial-and-error; 171 reflections; I > 0σ(I), R = 0.121
  • Sample Detail(s): lavenite sample from Russia, Kola Peninsula, Lovozero massif, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.3CaZr0.7Ti0.3Mn0.4Fe0.4[Si2O7]O[OH]0.5F0.5
  • Alphabetic Formula: CaF0.5Fe0.4Mn0.4Na1.3O[OH]0.5[Si2O7]Ti0.3Zr0.7
  • Published Formula: Na0.97(Ca0.70Na0.26)(Fe2+0.20Fe3+0.11Nb0.09Mn0.33Ca0.24)(Zr0.73Ti0.26)O(F,OH)[Si2O7]
  • Refined Formula: Ca0.98F0.50Fe0.32H0.50Mn0.34Na1.27Nb0.09O8.50Si2Ti0.26Zr0.74
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 3.70 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812532

  • 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

    Citation copied