Inorganic Solid Phases

PbMn2(VO4)2(OH)2 (Sr0.17Mn2Pb0.83[VO4]2[OH]2) Crystal Structure

General Information

  • Phase Label(s): Sr0.17Mn2Pb0.83[VO4]2[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): krettnichite
  • Pearson Symbol: mS30
  • Space Group: 12
  • Phase Prototype: NaCu2[SO4]2[OH][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, vanadate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 49 variables; 413 reflections; I > 4σ(I), R = 0.0318; wR = 0.0902
  • Sample Detail(s): krettnichite sample from Germany, Saarland, Krettnich, electron microprobe analysis; 29.26(1.88) wt.% V2O5, 24.03(1.85) wt.% Mn2O3, 32.66(2.66) wt.% PbO, 1.48(0.25) wt.% SrO, 2.92(89) wt.% As2O5, 1.25(1.07) wt.% Fe2O3, 0.04(3) wt.% Al2O3, 0.04(5) wt.% NiO, 2.22(40) wt.% CoO, 0.42(15) wt.% CuO, 0.90(45) wt.% BaO, 0.60(30) wt, single crystal (determination of cell parameters), single crystal, 0.02×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.17Mn2Pb0.83[VO4]2[OH]2
  • Alphabetic Formula: Mn2[OH]2Pb0.83Sr0.17[VO4]2
  • Published Formula: PbMn2(VO4)2(OH)2
  • Refined Formula: H2Mn2O10Pb0.83Sr0.17V2
  • Wyckoff Sequence: 12,ji4fa
  • Z Formula Units: 2
  • Density: ρ = 4.69 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_1520683

  • 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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