Inorganic Solid Phases

Cu₇Pb₂₇Bi₂₅S₆₈ Crystal Structure

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General Information

Phase Label(s): Cu₇Pb₂₇Bi₂₅S₆₈
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): cuproneyite
Pearson Symbol: mS254
Space Group: 12
Phase Prototype: Ag₂Cu₆Pb₂₅Bi₂₆S₆₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, least-squares refinement; 385 variables; 6050 reflections; I > 2σ(I), R = 0.0808; wR = 0.1817
Sample Detail(s): cuproneyite sample from Romania, Apuseni Mountains, Baita Bihor (Rezbanya), electron microprobe analysis; Cu_7.1Ag_0.38Pb_26.04Bi_25.49(Te_0.12Se_0.23S_67.65), single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.150 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Cu₇Pb₂₇Bi₂₅S₆₈
Alphabetic Formula: Bi₂₅Cu₇Pb₂₇S₆₈
Published Formula: Cu₇Pb₂₇Bi₂₅S₆₈
Refined Formula: Ag_0.47Bi_25.53Cu₇Pb₂₆S₆₈
Wyckoff Sequence: 12,i⁶³a
Z Formula Units: 2
Density: ρ = 7.14 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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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_1229506

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 Cu7Pb27Bi25S68 Crystal Structure sd_1229506 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Cu7Pb27Bi25S68 Crystal Structure

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General Information

Substance Summary

Cite this page

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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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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Cu₇Pb₂₇Bi₂₅S₆₈ Crystal Structure