Inorganic Solid Phases

Pb3Zn3(Sb5+,Te6+)As2O13(OH,O) (Zn2.70Fe0.19Pb3.11Sb0.65[SiO4]0.16[AsO4]1.55[PO4]0.20[TeO6]0.45O3[OH]0.66) Crystal Structure

General Information

  • Phase Label(s): Zn2.70Fe0.19Pb3.11Sb0.65[SiO4]0.16[AsO4]1.55[PO4]0.20[TeO6]0.45O3[OH]0.66
  • Structure Class(es): langasite family
  • Classification by Properties:
  • Mineral Name(s): joelbruggerite
  • Pearson Symbol: hP23
  • Space Group: 150
  • Phase Prototype: Zn3Pb3[AsO4]2[TeO6]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate, orthosilicate, hexaoxotellurate(VI), oxid
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 38 variables; 604 reflections, R = 0.0510; wR = 0.0948
  • Sample Detail(s): joelbruggerite sample from U.S.A. Montana, Black Pine mine, electron microprobe analysis, Raman spectroscopy; Pb3.112(Zn2.689Fe2+0.185)(Sb5+0.650Te6+0.451)(As1.551P0.203Si0.160)O13.335[OH]0.665, single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn2.70Fe0.19Pb3.11Sb0.65[SiO4]0.16[AsO4]1.55[PO4]0.20[TeO6]0.45O3[OH]0.66
  • Alphabetic Formula: [AsO4]1.55Fe0.19O3[OH]0.66[PO4]0.20Pb3.11Sb0.65[SiO4]0.16[TeO6]0.45Zn2.70
  • Published Formula: Pb3Zn3(Sb5+,Te6+)As2O13(OH,O)
  • Refined Formula: As2H0.66O14Pb3Sb0.57Te0.43Zn3
  • Wyckoff Sequence: 150,g2fed2a
  • Z Formula Units: 1
  • Density: ρ = 6.72 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_1223781

  • 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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