Inorganic Solid Phases

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

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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

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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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
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Experimental Details

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Reference

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3D Interactive Structure

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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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials Pb18Ba2Ca5Mn2+2Fe3+2Si30O90Cl·6H2O (Ba2Ca5Mn2Fe2Pb18Si30ClO90[H2O]6) Crystal Structure sd_1617466 (Springer-Verlag GmbH, Heidelberg, © 2016)

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