Inorganic Solid Phases

Pb4(Al3Cu)(Si4O12)(S0.5Si0.5O4)(OH)7Cl(H2O)3 (CuAl3Pb4Si4[SiO4]0.5[SO4]0.5ClO12[OH]7[H2O]3) Crystal Structure

General Information

  • Phase Label(s): CuAl3Pb4Si4[SiO4]0.5[SO4]0.5ClO12[OH]7[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bobmeyerite
  • Pearson Symbol: oP74
  • Space Group: 58
  • Phase Prototype: (Cu0.25Al0.75)4Pb4Si4[(Si0.5S0.9)O4]ClO12[OH]4([OH]0.5[H2O]0.5)6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, ChemMatCARS, 15-ID-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.040651 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, orthosilicate, silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 99 variables; 1057 reflections; F > 4σ(F), R = 0.0791; wR = 0.1589
  • Sample Detail(s): bobmeyerite sample from U.S.A. Arizona, Pinal County, Tiger, Mammoth-Saint Anthony mine, electron microprobe analysis; Pb3.80Ca0.04Al3.04Cu2+0.96Cr3+0.13Si4.40S0.58O24.43Cl1.05F0.52H11.83, single crystal (determination of cell parameters), single crystal, 0.002×0.002×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuAl3Pb4Si4[SiO4]0.5[SO4]0.5ClO12[OH]7[H2O]3
  • Alphabetic Formula: Al3ClCu[H2O]3O12[OH]7Pb4[SO4]0.5Si4[SiO4]0.5
  • Published Formula: Pb4(Al3Cu)(Si4O12)(S0.5Si0.5O4)(OH)7Cl(H2O)3
  • Refined Formula: Al3.28ClCu0.72H13.72O24Pb4Si4
  • Wyckoff Sequence: 58,h3g12a
  • Z Formula Units: 2
  • Density: ρ = 4.48 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_1230408

  • 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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