Inorganic Solid Phases

Rb₄Br₂O Crystal Structure

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General Information

Phase Label(s): Rb₄Br₂O
Structure Class(es): Ruddlesden-Popper phase, high-T_c cuprate family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tI14
Space Group: 139
Phase Prototype: K₂NiF₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): bromide, oxide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 175 reflections; I > 2σ(I), R = 0.0618; wR = 0.2081
Sample Detail(s): sample prepared from RbBr, Rb₂O, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

Standard Formula: Rb₄Br₂O
Alphabetic Formula: Br₂ORb₄
Published Formula: Rb₄Br₂O
Refined Formula: Br₂ORb₄
Wyckoff Sequence: 139,e²ca
Z Formula Units: 2
Density: ρ = 3.36 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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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
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Powder Pattern

published defraction line d [pm]	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_1708384

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 Rb4Br2O Crystal Structure sd_1708384 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Rb4Br2O Crystal Structure

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General Information

Substance Summary

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Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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Powder Pattern

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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

Cite this content

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Rb₄Br₂O Crystal Structure