Inorganic Solid Phases

(Sr,Ba,K)2(Na,Ca)(Na,Mn,Ca,Fe2+)2(Ti,Fe3+)Ti2O2[Si2O7]2(O,OH,F)2 (Na3Sr2Ti3[Si2O7]2O3[OH]0.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Na3Sr2Ti3[Si2O7]2O3[OH]0.5F0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lamprophyllite 2M
  • Pearson Symbol: mS60
  • Space Group: 12
  • Phase Prototype: Na3Sr2Ti3[Si2O7]2O2(O0.5[OH]0.25F0.25)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; DRON-1.5 (determination of structural parameters), X-rays, Mo Kα (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, full-matrix least-squares refinement; 1434 reflections, R = 0.087
  • Sample Detail(s): lamprophyllite sample from Russia, Kola Peninsula, single crystal (determination of cell parameters), single crystal, 0.16×0.31×0.8 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Sr2Ti3[Si2O7]2O3[OH]0.5F0.5
  • Alphabetic Formula: F0.5Na3O3[OH]0.5[Si2O7]2Sr2Ti3
  • Published Formula: (Sr,Ba,K)2(Na,Ca)(Na,Mn,Ca,Fe2+)2(Ti,Fe3+)Ti2O2[Si2O7]2(O,OH,F)2
  • Refined Formula: F0.50H0.50Na3O17.50Si4Sr2Ti3
  • Wyckoff Sequence: 12,j4i5hba
  • Z Formula Units: 2
  • Density: ρ = 3.56 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_1005252

  • 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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