Inorganic Solid Phases

lavenite (Na1.62Ca0.61Zr0.9Ti0.17Nb0.16Mn0.32Fe0.22[Si2O7]OF) Crystal Structure

General Information

  • Phase Label(s): Na1.62Ca0.61Zr0.9Ti0.17Nb0.16Mn0.32Fe0.22[Si2O7]OF
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lavenite
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: NaCa(Zr0.4Ti0.6)Mn[Si2O7]OF
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1743 reflections, R = 0.032; wR = 0.036
  • Sample Detail(s): lavenite sample from Norway, Oslo Region, Langesundsfjorden, Lille Aro Island, sample prepared from lavenite, electron microprobe analysis; (Na6.50Ca1.47Y0.03)(Ca0.93Mn1.26Fe2+0.87Ti0.65Zr0.18Mg0.05)(Zr3.42Nb0.58)(Si2O7)4O3.82F3.98, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.62Ca0.61Zr0.9Ti0.17Nb0.16Mn0.32Fe0.22[Si2O7]OF
  • Alphabetic Formula: Ca0.61FFe0.22Mn0.32Na1.62Nb0.16O[Si2O7]Ti0.17Zr0.9
  • Published Formula: lavenite
  • Refined Formula: Ca0.70FFe0.20Mn0.40Na1.50Nb0.13O8Si2Ti0.20Zr0.88
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 3.60 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]

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_1602795

  • 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