Inorganic Solid Phases

Cs₂CuCl_4−xBr_x, x= 0.8 (Cs₂CuBr_1.5Cl_1.5 rt) Crystal Structure

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General Information

Phase Label(s): Cs₂CuBr_1.5Cl_1.5 rt
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP28
Space Group: 62
Phase Prototype: K₂[SO₄]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): bromide, chloride
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, R_P = 0.065; wR_P = 0.085
Sample Detail(s): sample prepared from CuCl₂[H₂O]₂, CsCl, CsBr, energy-dispersive X-ray analysis, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cs₂CuBr_0.8Cl_3.2
Alphabetic Formula: Br_0.8Cl_3.2Cs₂Cu
Published Formula: Cs₂CuCl_4−xBr_x, x= 0.8
Refined Formula: Br_0.80Cl_3.20Cs₂Cu
Wyckoff Sequence: 62,d²c⁷
Z Formula Units: 4
Density: ρ = 3.58 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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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_1931296

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 Cs2CuCl4−xBrx, x= 0.8 (Cs2CuBr1.5Cl1.5 rt) Crystal Structure sd_1931296 (Springer-Verlag GmbH, Heidelberg, © 2016)

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