Inorganic Solid Phases

(Mn,Mg)22.5Mg3−3x[(V,As)O4]3[SiO4]3[AsO3]xO5−5x(OH)20+x, x= 0.52 (Mg4.43Mn19.51[VO4]2.38[SiO4]2.76[AsO3]0.52[AsO4]0.60O2.4[OH]20.52) Crystal Structure

General Information

  • Phase Label(s): Mg4.43Mn19.51[VO4]2.38[SiO4]2.76[AsO3]0.52[AsO4]0.60O2.4[OH]20.52
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): turtmannite
  • Pearson Symbol: hR1014
  • Space Group: 167
  • Phase Prototype: Mg4.5Mn19.5[VO4]2.38[SiO4]3[AsO3]0.5[AsO4]0.62O2.5[OH]20.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, arsenate, hydroxide, orthosilicate, vanadate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 135 variables; 1886 reflections; I > 4σ(I), R = 0.1236; wR = 0.2647
  • Sample Detail(s): turtmannite sample from Switzerland, Valais (Wallis), Turtmanntal, Barrhorn, electron microprobe analysis; 57.29 wt.% MnO, 8.61 wt.% SiO2, 8.09 wt.% V2O5, 8.06 wt.% H2O, 7.67 wt.% As2O5, 5.27 wt.% MgO, 0.69 wt.% Al2O3, 0.21 wt.% NiO, 0.13 wt.% CoO, 0.08 wt.% CaO, 0.06 wt.% ZnO, 0.05 wt.% BaO, 0.05 wt.% FeO, etc., single crystal (determination of cell parameters), single crystal, 0.015×0.080×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg4.43Mn19.51[VO4]2.38[SiO4]2.76[AsO3]0.52[AsO4]0.60O2.4[OH]20.52
  • Alphabetic Formula: [AsO3]0.52[AsO4]0.60Mg4.43Mn19.51O2.4[OH]20.52[SiO4]2.76[VO4]2.38
  • Published Formula: (Mn,Mg)22.5Mg3−3x[(V,As)O4]3[SiO4]3[AsO3]xO5−5x(OH)20+x, x= 0.52
  • Refined Formula: As1.12H21Mg4.44Mn19.50O48.60Si2.76V2.38
  • Wyckoff Sequence: 167,f22ec17
  • Z Formula Units: 12
  • Density: ρ = 3.70 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]

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_1811730

  • 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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