Inorganic Solid Phases

Na₃H₁₈B₃W₃₉O₁₃₂·56H₂O (H₁₈Na₃W₃₉B₃O₁₃₂[H₂O]₅₆) Crystal Structure

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General Information

Phase Label(s): H₁₈Na₃W₃₉B₃O₁₃₂[H₂O]₅₆
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hP550
Space Group: 176
Phase Prototype: H₁₂Na₃W₃₉B₃O₁₂₉[H₂O]₅₉
Measurement Detail(s): automatic diffractometer; 25171 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): borate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F²; 382 variables; 4492 reflections; I > 2σ(I), R = 0.0754; wR = 0.2049
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.05×0.10×0.10 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H₁₂Na₃W₃₉B₃O₁₂₉[H₂O]₅₉
Alphabetic Formula: B₃H₁₂[H₂O]₅₉Na₃O₁₂₉W₃₉
Published Formula: Na₃H₁₈B₃W₃₉O₁₃₂·56H₂O
Refined Formula: B₃H_71.12Na₃O_164.56W₃₉
Wyckoff Sequence: 176,i³⁹h¹³e
Z Formula Units: 2
Density: ρ = 3.90 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_1922704

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 Na3H18B3W39O132·56H2O (H18Na3W39B3O132[H2O]56) Crystal Structure sd_1922704 (Springer-Verlag GmbH, Heidelberg, © 2016)

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