Inorganic Solid Phases

gartrellite (Cu1.11Fe0.87Al0.02Pb[AsO4]1.92[PO4]0.03[SO4]0.05[OH]0.94[H2O]1.06) Crystal Structure

General Information

  • Phase Label(s): Cu1.11Fe0.87Al0.02Pb[AsO4]1.92[PO4]0.03[SO4]0.05[OH]0.94[H2O]1.06
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gartrellite
  • Pearson Symbol: aP15
  • Space Group: 2
  • Phase Prototype: Zn2Pb[AsO4]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase; 39 variables, RP = 0.039; wRP = 0.053
  • Sample Detail(s): gartrellite sample from Namibia, Tsumeb, Tsumeb mine, sample prepared from gartrellite, electron microprobe analysis; Pb0.98Fe3+0.87Al0.02Cu1.10[AsO4]1.92[PO4]0.03[SO4]0.05[OH]0.90[H2O]1.10; amounts of gartrellite (50 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu1.11Fe0.87Al0.02Pb[AsO4]1.92[PO4]0.03[SO4]0.05[OH]0.94[H2O]1.06
  • Alphabetic Formula: Al0.02[AsO4]1.92Cu1.11Fe0.87[H2O]1.06[OH]0.94[PO4]0.03Pb[SO4]0.05
  • Published Formula: gartrellite
  • Refined Formula: As2CuFeH3.06O10Pb
  • Wyckoff Sequence: 2,i6gfa
  • Z Formula Units: 1
  • Density: ρ = 5.39 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_1601632

  • 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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