Inorganic Solid Phases

[Cd_0.5Bi_1.5]O₂Cd_0.09I_1.7 (Cd_0.295Bi_0.75I_0.85O) Crystal Structure

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General Information

Phase Label(s): Cd_0.295Bi_0.75I_0.85O
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tP8
Space Group: 129
Phase Prototype: CuZrSiAs
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; DRON-4.0 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): iodide, oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement; 26 variables; 43 reflections, R_P = 0.0864; wR_P = 0.1113; R_B = 0.0500
Sample Detail(s): sample prepared from BiOI, CdO, gravimetry, X-ray fluorescence spectroscopy, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cd_0.295Bi_0.75I_0.85O
Alphabetic Formula: Bi_0.75Cd_0.295I_0.85O
Published Formula: [Cd_0.5Bi_1.5]O₂Cd_0.09I_1.7
Refined Formula: Bi_0.75Cd_0.30I_0.85O
Wyckoff Sequence: 129,c²ba
Z Formula Units: 2
Density: ρ = 6.55 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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Powder Pattern

published defraction line 2θ [°]	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_1927025

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 [Cd0.5Bi1.5]O2Cd0.09I1.7 (Cd0.295Bi0.75I0.85O) Crystal Structure sd_1927025 (Springer-Verlag GmbH, Heidelberg, © 2016)

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