Inorganic Solid Phases

Pb_51.3Sb_20.4Bi_19.5Ag_1.2Cu_2.9Fe_0.7S₁₁₄ (Ag_0.5Cu_1.3Fe_0.7Pb_26.9Bi_11.3Sb_7.4S₅₇) Crystal Structure

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General Information

Phase Label(s): Ag_0.5Cu_1.3Fe_0.7Pb_26.9Bi_11.3Sb_7.4S₅₇
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): izoklakeite
Pearson Symbol: oP210
Space Group: 58
Phase Prototype: Cu₂Pb_29.61Bi_9.61Sb_6.78S₅₇
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE 2-circle (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1434 reflections; I > 2σ(I), R = 0.16
Sample Detail(s): izoklakeite sample from Sweden, Närke, Vena field, electron microprobe analysis; Pb_51.29Sb_20.37Bi_19.52Cu_2.94Ag_1.16Fe_0.72S_112.26, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.16 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ag_0.6Cu_1.45Fe_0.35Pb_25.65Bi_9.75Sb_10.2S₅₇
Alphabetic Formula: Ag_0.6Bi_9.75Cu_1.45Fe_0.35Pb_25.65S₅₇Sb_10.2
Published Formula: Pb_51.3Sb_20.4Bi_19.5Ag_1.2Cu_2.9Fe_0.7S₁₁₄
Refined Formula: Ag_0.16Bi_9.80Cu_1.48Fe_0.36Pb_25.60S₅₇Sb_10.60
Wyckoff Sequence: 58,g⁵²a
Z Formula Units: 2
Density: ρ = 6.68 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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Anisotropic

Site	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [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_1624164

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 Pb51.3Sb20.4Bi19.5Ag1.2Cu2.9Fe0.7S114 (Ag0.5Cu1.3Fe0.7Pb26.9Bi11.3Sb7.4S57) Crystal Structure sd_1624164 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Citation copied

Pb51.3Sb20.4Bi19.5Ag1.2Cu2.9Fe0.7S114 (Ag0.5Cu1.3Fe0.7Pb26.9Bi11.3Sb7.4S57) 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

Download this citation

Pb_51.3Sb_20.4Bi_19.5Ag_1.2Cu_2.9Fe_0.7S₁₁₄ (Ag_0.5Cu_1.3Fe_0.7Pb_26.9Bi_11.3Sb_7.4S₅₇) Crystal Structure