Inorganic Solid Phases

Pb2(Cu,Fe)[CrO4(As,P)O4OH] (Cu0.95Fe0.05Pb2[CrO4][AsO4]0.925[PO4]0.075[OH]) Crystal Structure

General Information

  • Phase Label(s): Cu0.95Fe0.05Pb2[CrO4][AsO4]0.925[PO4]0.075[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fornacite
  • Pearson Symbol: mP56
  • Space Group: 14
  • Phase Prototype: (Cu0.95Fe0.05)Pb2[CrO4][(As0.9P0.1)O4][OH]
  • Measurement Detail(s): precession and Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, chromate, hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 776 reflections, R = 0.098
  • Sample Detail(s): fornacite sample from Democratic Republic of Congo (Zaire), Brazzaville, Renéville, sample prepared from fornacite, powder (determination of cell parameters), single crystal, 0.30 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu0.95Fe0.05Pb2[CrO4][AsO4]0.925[PO4]0.075[OH]
  • Alphabetic Formula: [AsO4]0.925[CrO4]Cu0.95Fe0.05[OH][PO4]0.075Pb2
  • Published Formula: Pb2(Cu,Fe)[CrO4(As,P)O4OH]
  • Refined Formula: As0.93CrCu0.95Fe0.05HO9P0.08Pb2
  • Wyckoff Sequence: 14,e14
  • Z Formula Units: 4
  • Density: ρ = 6.30 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415699

  • 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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