Inorganic Solid Phases

BiCu6(OH)6(AsO4)3·3H2O (Cu6Bi[AsO4]3[OH]6[H2O]3) Crystal Structure

General Information

  • Phase Label(s): Cu6Bi[AsO4]3[OH]6[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mixite
  • Pearson Symbol: hP110
  • Space Group: 176
  • Phase Prototype: Cu6Bi[AsO4]3[OH]6[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, not specified; 70 variables; 952 reflections; F > 6σ(F), R = 0.042; wR = 0.046
  • Sample Detail(s): mixite sample from synthetic, sample prepared from Bi[NO3]3[H2O]5, Cu[NO3]2[H2O]3, As2O5, KOH, amounts of olivenite and K2Bi2Cu3O4[AsO4]2[H2O]2, single crystal (determination of cell parameters), single crystal, 0.070×0.070×0.145 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu6Bi[AsO4]3[OH]6[H2O]3
  • Alphabetic Formula: [AsO4]3BiCu6[H2O]3[OH]6
  • Published Formula: BiCu6(OH)6(AsO4)3·3H2O
  • Refined Formula: As3BiCu6H11.99O21
  • Wyckoff Sequence: 176,i6h6d
  • Z Formula Units: 2
  • Density: ρ = 4.06 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812046

  • 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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