Inorganic Solid Phases

Ca₂IrD_5.12 (T = 20 K) Crystal Structure

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General Information

Phase Label(s): Ca₂IrD_5.12
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tI18
Space Group: 139
Phase Prototype: Sr₂IrH₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), neutrons; λ = 0.15402(1) nm (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): deuteride
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 78 reflections, R_P = 0.0733; wR_P = 0.0923
Sample Detail(s): sample prepared from CaD₂, Ir, amounts of Ir (4.4 wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ca₂IrD_5.12
Alphabetic Formula: Ca₂D_5.12Ir
Published Formula: Ca₂IrD_5.12
Refined Formula: Ca₂D_5.03Ir
Wyckoff Sequence: 139,heda
Z Formula Units: 2
Density: ρ = 4.99 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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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_1120216

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 Ca2IrD5.12 (T = 20 K) Crystal Structure sd_1120216 (Springer-Verlag GmbH, Heidelberg, © 2016)

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