Inorganic Solid Phases

Ca₃Au_5.9Al_26.1Cr (Ca₃Au_5.9CrAl_26.1) Crystal Structure

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General Information

Phase Label(s): Ca₃Au_5.9CrAl_26.1
Structure Class(es): –
Classification by Properties: Pauli paramagnet, metal
Mineral Name(s): –
Pearson Symbol: cP49
Space Group: 221
Phase Prototype: Y₃TaNi_6.30Al_25.85
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 290 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): intermetallic
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 21 variables; 220 reflections; I > 2σ(I), R = 0.0242; wR = 0.0591
Sample Detail(s): sample prepared from Ca, Cr, Au, Al, amounts of CaAu₃Al₇, single crystal (determination of cell parameters), single crystal, 0.05×0.07×0.08 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ca₃Au_5.9CrAl_26.1
Alphabetic Formula: Al_26.1Au_5.9Ca₃Cr
Published Formula: Ca₃Au_5.9Al_26.1Cr
Refined Formula: Al_26.12Au_5.89Ca₃Cr
Wyckoff Sequence: 221,ji²gdba
Z Formula Units: 1
Density: ρ = 5.37 Mg·m⁻³

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Citation

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_1124853

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 Ca3Au5.9Al26.1Cr (Ca3Au5.9CrAl26.1) Crystal Structure sd_1124853 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Ca3Au5.9Al26.1Cr (Ca3Au5.9CrAl26.1) 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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Ca₃Au_5.9Al_26.1Cr (Ca₃Au_5.9CrAl_26.1) Crystal Structure