Inorganic Solid Phases

BaTlP₃O₉·2H₂O (BaTlP₃O₉[H₂O]₂) Crystal Structure

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General Information

Phase Label(s): BaTlP₃O₉[H₂O]₂
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mP64
Space Group: 14
Phase Prototype: [NH₄]BaP₃O₉[H₂O]₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): phosphate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 121 variables; 1550 reflections; I > 3σ(I), R = 0.040; wR = 0.046
Sample Detail(s): sample prepared from BaCO₃, Tl₂CO₃, H₃P₃O₉, single crystal (determination of cell parameters), single crystal, 0.11×0.43×0.57 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: BaTlP₃O₉[H₂O]₂
Alphabetic Formula: Ba[H₂O]₂O₉P₃Tl
Published Formula: BaTlP₃O₉·2H₂O
Refined Formula: BaH₄O₁₁P₃Tl
Wyckoff Sequence: 14,e¹⁶
Z Formula Units: 4
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
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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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_1820964

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 BaTlP3O9·2H2O (BaTlP3O9[H2O]2) Crystal Structure sd_1820964 (Springer-Verlag GmbH, Heidelberg, © 2016)

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