Inorganic Solid Phases

K_1.18Na_1.20Cs_4.01H_2.61Si₁₂Ti₅O₃₈(OH)·7.12H₂O (H_1.3Cs₂K_0.59Na_0.60Ti_2.5Si₆O₁₉[OH]_0.5[H₂O]_3.56) Crystal Structure

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General Information

Phase Label(s): H_1.3Cs₂K_0.59Na_0.60Ti_2.5Si₆O₁₉[OH]_0.5[H₂O]_3.56
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oS102
Space Group: 65
Phase Prototype: H_1.3Cs₂K_0.59Na_0.60Ti_2.5Si₆O₁₉[OH]_0.5[H₂O]_3.56
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Agilent Technologies SuperNova Dual (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, silicate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; I > 2σ(I), R = 0.0969; wR = 0.2231
Sample Detail(s): sample prepared from NaOH, KOH, TiCl₄, SiO₂, single crystal (determination of cell parameters), single crystal, 0.01×0.03×0.12 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H_1.3Cs₂K_0.59Na_0.60Ti_2.5Si₆O₁₉[OH]_0.5[H₂O]_3.56
Alphabetic Formula: Cs₂H_1.3[H₂O]_3.56K_0.59Na_0.60O₁₉[OH]_0.5Si₆Ti_2.5
Published Formula: K_1.18Na_1.20Cs_4.01H_2.61Si₁₂Ti₅O₃₈(OH)·7.12H₂O
Refined Formula: Cs_2.01H_7.12K_0.59Na_0.60O_23.06Si₆Ti_2.50
Wyckoff Sequence: 65,rp²n⁴k²j³ihfeb
Z Formula Units: 2
Density: ρ = 2.75 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_1639973

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 K1.18Na1.20Cs4.01H2.61Si12Ti5O38(OH)·7.12H2O (H1.3Cs2K0.59Na0.60Ti2.5Si6O19[OH]0.5[H2O]3.56) Crystal Structure sd_1639973 (Springer-Verlag GmbH, Heidelberg, © 2016)

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