Inorganic Solid Phases

β-BaSO₄ (Ba[SO₄] rt, T = 1283 K) Crystal Structure

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General Information

Phase Label(s): Ba[SO₄] rt
Structure Class(es): –
Classification by Properties: nonmetal
Mineral Name(s): baryte
Pearson Symbol: oP24
Space Group: 62
Phase Prototype: Ba[SO₄]
Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 1283 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfate
Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 272 reflections; F > 3σ(F), R = 0.050; wR = 0.073
Sample Detail(s): sample from Japan, Fukushima Prefecture, Ishikawa, Kuratani mine, electron microprobe analysis; Ba_0.992Sr_0.003Pb_0.005SO₄, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba[SO₄]
Alphabetic Formula: Ba[SO₄]
Published Formula: β-BaSO₄
Refined Formula: BaO₄S
Wyckoff Sequence: 62,dc⁴
Z Formula Units: 4
Density: ρ = 4.23 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 B [nm²]	Type	Computed B_eq [nm²]
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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_1407089

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 β-BaSO4 (Ba[SO4] rt, T = 1283 K) Crystal Structure sd_1407089 (Springer-Verlag GmbH, Heidelberg, © 2016)

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