Inorganic Solid Phases

Pb18Ba2Ca5Mn2+2Fe3+2Si30O90Cl·6H2O (Ba2Ca5Mn2Fe2Pb18Si30ClO90[H2O]6) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca5Mn2Fe2Pb18Si30ClO90[H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hyttsjöite
  • Pearson Symbol: hR468
  • Space Group: 148
  • Phase Prototype: Ba2Ca5Mn2Fe2Pb18Si30ClO90[H2O]6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 156 variables; 1198 reflections; I > 3σ(I), R = 0.047; wR = 0.044
  • Sample Detail(s): hyttsjöite sample from Sweden, Värmland, Langban, electron microprobe analysis; 26.38 wt.% SiO2, 2.77 wt.% Fe2O3, 2.00 wt.% MnO, 4.35 wt.% CaO, 58.13 wt.% PbO, 4.65 wt.% BaO, 0.65 wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca5Mn2Fe2Pb18Si30ClO90[H2O]6
  • Alphabetic Formula: Ba2Ca5ClFe2[H2O]6Mn2O90Pb18Si30
  • Published Formula: Pb18Ba2Ca5Mn2+2Fe3+2Si30O90Cl·6H2O
  • Refined Formula: Ba2Ca5ClFe2H12Mn2O96Pb18Si30
  • Wyckoff Sequence: 148,f22c11ba
  • Z Formula Units: 3
  • Density: ρ = 5.10 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_1617466

  • 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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