Inorganic Solid Phases

Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86 (Mg10.76Fe14Co0.24Bi6[AsO4]18O12[OH]4[H2O]86) Crystal Structure

General Information

  • Phase Label(s): Mg10.76Fe14Co0.24Bi6[AsO4]18O12[OH]4[H2O]86
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bouazzerite
  • Pearson Symbol: mP446
  • Space Group: 14
  • Phase Prototype: Mg10(Mg0.76Co0.24)Fe14Bi6[AsO4]18O12[OH]4[H2O]86
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 574 variables; 7309 reflections; F > 4σ(F), R = 0.055; wR = 0.076
  • Sample Detail(s): bouazzerite sample from Morocco, Bou-Azzer district, Anti-Atlas, Tachgagalt vein, electron microprobe analysis; As17.04Cr0.64Si0.32Bi6.14Fe12.63Mg8.45Co0.48Ni0.12Ca0.23H184O174.6, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg10.76Fe14Co0.24Bi6[AsO4]18O12[OH]4[H2O]86
  • Alphabetic Formula: [AsO4]18Bi6Co0.24Fe14[H2O]86Mg10.76O12[OH]4
  • Published Formula: Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86
  • Refined Formula: As18Bi6Co0.24Fe14H176Mg10.76O174
  • Wyckoff Sequence: 14,e111a
  • Z Formula Units: 2
  • Density: ρ = 2.87 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_1217070

  • 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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