Inorganic Solid Phases

Na(Mn,Mg)9[VSi9O28(OH)](OH)3, Na0.97(Mn7.79Mg0.95Zn0.16Ni0.04Ca0.03Al0.01)(V0.95As0.02Si9.08)O32.05H4 (NaMgVMn8Si9O28[OH]4) Crystal Structure

General Information

  • Phase Label(s): NaMgVMn8Si9O28[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): scheuchzerite
  • Pearson Symbol: aP108
  • Space Group: 2
  • Phase Prototype: NaMgVMn8Si9O28[OH]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 5441 reflections, R = 0.094; wR = 0.166
  • Sample Detail(s): scheuchzerite sample from Switzerland, Graubünden (Grisons), Val Ferrera, electron microprobe analysis; 6.46 wt.% V2O5, 0.14 wt.% As2O5, 41.02 wt.% SiO2, 0.04 wt.% Al2O3, 2.86 wt.% MgO, 41.54 wt.% MnO, 0.13 wt.% CaO, 2.25 wt.% Na2O, 0.22 wt.% NiO, 0.96 wt.% ZnO, 2.71 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.006×0.030×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaMgVMn8Si9O28[OH]4
  • Alphabetic Formula: MgMn8NaO28[OH]4Si9V
  • Published Formula: Na(Mn,Mg)9[VSi9O28(OH)](OH)3, Na0.97(Mn7.79Mg0.95Zn0.16Ni0.04Ca0.03Al0.01)(V0.95As0.02Si9.08)O32.05H4
  • Refined Formula: H4Mg0.63Mn8.57Na0.80O32Si9V
  • Wyckoff Sequence: 2,i54
  • Z Formula Units: 2
  • Density: ρ = 3.46 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213009

  • 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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