Inorganic Solid Phases

Ba₂₁M₂O₅H_12+x, x= 0 (M= Zn) (Ba₂₁Zn₂O₅H₁₂) Crystal Structure

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General Information

Phase Label(s): Ba₂₁Zn₂O₅H₁₂
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF592
Space Group: 227
Phase Prototype: Ba₂₁Si₂O₅H₁₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydride, oxide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 26 variables; I > 2σ(I), R = 0.0944; wR = 0.2110
Sample Detail(s): sample prepared from Ba, Zn, BaH₂, BaO₂, amounts of BaO and BaH₂, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba₂₁Zn₂O₅H₁₂
Alphabetic Formula: Ba₂₁H₁₂O₅Zn₂
Published Formula: Ba₂₁M₂O₅H_12+x, x= 0 (M= Zn)
Refined Formula: Ba₂₁H₁₂O₅Zn₂
Wyckoff Sequence: 227,g³fecba
Z Formula Units: 8
Density: ρ = 4.85 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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_1142140

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 Ba21M2O5H12+x, x= 0 (M= Zn) (Ba21Zn2O5H12) Crystal Structure sd_1142140 (Springer-Verlag GmbH, Heidelberg, © 2016)

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