Inorganic Solid Phases

Cs_10.5(NH₄)_16.5[Cs{(BW₁₁O₃₉)₄(H₁₆Mo₈W₈O₅₂)}]·48H₂O (H₁₆Cs_11.5[NH₄]_16.5W₅₂Mo₈B₄O₂₀₈[H₂O]₄₈) Crystal Structure

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General Information

Phase Label(s): H₁₆Cs_11.5[NH₄]_16.5W₅₂Mo₈B₄O₂₀₈[H₂O]₄₈
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS1268
Space Group: 12
Phase Prototype: H₁₆Cs_11.5[NH₄]_16.5W₅₂Mo₈B₄O₂₀₈[H₂O]₄₈
Measurement Detail(s): automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of 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; 1470 variables; 20890 reflections; I > 2σ(I), R = 0.0719; wR = 0.2110
Sample Detail(s): sample prepared from K₈(α-BW₁₁O₃₉)[H₂O]₁₃, chemical analysis; 9.25 wt.% Cs, 1.20 wt.% N, 0.27 wt.% B, 59.1 wt.% W, 4.10 wt.% Mo, single crystal, 0.08×0.10×0.15 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H₁₆Cs_11.5[NH₄]_16.5W₅₂Mo₈B₄O₂₀₈[H₂O]₄₈
Alphabetic Formula: B₄Cs_11.5H₁₆[H₂O]₄₈Mo₈[NH₄]_16.5O₂₀₈W₅₂
Published Formula: Cs_10.5(NH₄)_16.5[Cs{(BW₁₁O₃₉)₄(H₁₆Mo₈W₈O₅₂)}]·48H₂O
Refined Formula: B₄Cs_12.01H₄₄Mo₈O₂₃₀W₅₂
Wyckoff Sequence: 12,j¹³⁶i⁴²h²g
Z Formula Units: 4
Density: ρ = 4.04 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_1716375

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 Cs10.5(NH4)16.5[Cs{(BW11O39)4(H16Mo8W8O52)}]·48H2O (H16Cs11.5[NH4]16.5W52Mo8B4O208[H2O]48) Crystal Structure sd_1716375 (Springer-Verlag GmbH, Heidelberg, © 2016)

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