Inorganic Solid Phases

mounanaite (Cu0.06Fe1.96Al0.04Pb0.94[VO4]1.92[AsO4]0.01[PO4]0.07[OH]F) Crystal Structure

General Information

  • Phase Label(s): Cu0.06Fe1.96Al0.04Pb0.94[VO4]1.92[AsO4]0.01[PO4]0.07[OH]F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mounanaite
  • Pearson Symbol: mS30
  • Space Group: 12
  • Phase Prototype: NaCu2[SO4]2[OH][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate, vanadate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 45 variables; 493 reflections; F > 3σ(F), R = 0.065; wR = 0.039
  • Sample Detail(s): mounanaite sample from Gaboon, Mounana, sample prepared from mounanaite, electron microprobe analysis; Pb1.02Fe3+1.92Al0.04Cu0.06[AsO4]0.01[PO4]0.07[VO4]1.92[OH]2.12, powder (determination of cell parameters), single crystal, 0.02×0.06×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu0.06Fe1.96Al0.04Pb0.94[VO4]1.92[AsO4]0.01[PO4]0.07[OH]F
  • Alphabetic Formula: Al0.04[AsO4]0.01Cu0.06FFe1.96[OH][PO4]0.07Pb0.94[VO4]1.92
  • Published Formula: mounanaite
  • Refined Formula: FFe2HO9PbV2
  • Wyckoff Sequence: 12,ji4fa
  • Z Formula Units: 2
  • Density: ρ = 4.79 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]

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_1601626

  • 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