Inorganic Solid Phases

NaCa(Mn,Fe)(Ti,Nb,Zr)Si2O7OF (Na1.1Ca1.1Ti0.9Nb0.1Mn0.8[Si2O7]OF) Crystal Structure

General Information

  • Phase Label(s): Na1.1Ca1.1Ti0.9Nb0.1Mn0.8[Si2O7]OF
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): normandite
  • Pearson Symbol: mP60
  • Space Group: 14
  • Phase Prototype: NaCa(Zr0.4Ti0.6)Mn[Si2O7]OF
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (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, full-matrix least-squares refinement on F2; 139 variables; 1743 reflections; I > 4σ(I), R = 0.0472; wR = 0.0940
  • Sample Detail(s): normandite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.1Ca1.1Ti0.9Nb0.1Mn0.8[Si2O7]OF
  • Alphabetic Formula: Ca1.1FMn0.8Na1.1Nb0.1O[Si2O7]Ti0.9
  • Published Formula: NaCa(Mn,Fe)(Ti,Nb,Zr)Si2O7OF
  • Refined Formula: Ca0.94FMn0.78Na1.28Nb0.12O8Si2Ti0.88
  • Wyckoff Sequence: 14,e15
  • Z Formula Units: 4
  • Density: ρ = 3.45 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014062

  • 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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