Inorganic Solid Phases

Pb2Fe3+(VO4)2(OH) (FePb2[VO4]2[OH]) Crystal Structure

General Information

  • Phase Label(s): FePb2[VO4]2[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): calderonite
  • Pearson Symbol: mP28
  • Space Group: 11
  • Phase Prototype: MnPb2[VO4]2[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, vanadate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 85 variables; 1259 reflections, R = 0.0775; wR = 0.1659
  • Sample Detail(s): calderonite sample from Spain, Badajoz Province, Santa Marta and Azuaga deposit, electron microprobe analysis; (Pb1.950Ca0.004Ba0.015)(Fe3+0.892Cu0.059Zn0.008Al0.015)(V1.847As0.008Si0.039P0.057)O7.507[OH]1.493, single crystal (determination of cell parameters), single crystal, 0.07×0.07×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: FePb2[VO4]2[OH]
  • Alphabetic Formula: Fe[OH]Pb2[VO4]2
  • Published Formula: Pb2Fe3+(VO4)2(OH)
  • Refined Formula: Al0As0.02Ba0.02Ca0.01Cu0.03Fe0.96HO9P0Pb1.92Si0.08V1.84Zn0.01
  • Wyckoff Sequence: 11,f2e9a
  • Z Formula Units: 2
  • Density: ρ = 6.19 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]

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_1220814

  • 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

    Citation copied