Inorganic Solid Phases

NaMn2+5[Si5AsO17(OH)](OH) (Na2.12Mg0.4V0.3Mn9.6Si10.74As0.96O34[OH]4) Crystal Structure

General Information

  • Phase Label(s): Na2.12Mg0.4V0.3Mn9.6Si10.74As0.96O34[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): braccoite
  • Pearson Symbol: aP63
  • Space Group: 2
  • Phase Prototype: Na2.29(V0.5Si0.5)2Mn10Si10O34[OH]4
  • Measurement Detail(s): automatic diffractometer; 7946 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini R Ultra (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 300 variables; 4389 reflections; F > 4σ(F), R = 0.0347; wR = 0.0835
  • Sample Detail(s): braccoite sample from Italy, Piedmont, Cuneo, Maira Valley, electron microprobe analysis; Na1.06(Mn2+4.46Mn3+0.32Mg0.19V3+0.01Al0.01Ca0.01)[Si5(As0.48Si0.37V5+0.15)O17(OH)][(OH)0.98F0.02], single crystal (determination of cell parameters), single crystal, 0.15×0.17×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.12Mg0.4V0.3Mn9.6Si10.74As0.96O34[OH]4
  • Alphabetic Formula: As0.96Mg0.4Mn9.6Na2.12O34[OH]4Si10.74V0.3
  • Published Formula: NaMn2+5[Si5AsO17(OH)](OH)
  • Refined Formula: As1.07H4Mg0.78Mn9.22Na2.04O38Si10.93
  • Wyckoff Sequence: 2,i31c
  • Z Formula Units: 1
  • 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
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_1237117

  • 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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