Inorganic Solid Phases

Na(Na0.78Ca0.22)(Ca0.42Mn0.08)(Zr0.70Mn0.20Fe0.10)(Ti0.39Fe0.11)O[Si2O7](F,OH) (Na1.78Ca0.64Zr0.70Ti0.39Mn0.28Fe0.21[Si2O7]O[OH]0.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Na1.78Ca0.64Zr0.70Ti0.39Mn0.28Fe0.21[Si2O7]O[OH]0.5F0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): seidozerite
  • Pearson Symbol: mP60
  • Space Group: 13
  • Phase Prototype: Na4(Zr0.75Ti0.25)2TiMn[Si2O7]2O2([OH]0.5F0.5)2
  • Measurement Detail(s): rotation photographs (determination of cell parameters), 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, least-squares refinement; 985 reflections; I > 0σ(I), R = 0.0997
  • Sample Detail(s): seidozerite sample from Russia, Lake Baikal, chemical analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3.56Ca1.22Zr1.40Ti0.78Mn0.56Fe0.42[Si2O7]2O2[OH]F
  • Alphabetic Formula: Ca1.22FFe0.42Mn0.56Na3.56O2[OH][Si2O7]2Ti0.78Zr1.40
  • Published Formula: Na(Na0.78Ca0.22)(Ca0.42Mn0.08)(Zr0.70Mn0.20Fe0.10)(Ti0.39Fe0.11)O[Si2O7](F,OH)
  • Refined Formula: Ca1.28FFe0.42HMn0.56Na3.56O17Si4Ti0.78Zr1.40
  • Wyckoff Sequence: 13,g13f2e2
  • 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_1701392

  • 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