Inorganic Solid Phases

(K_2.85Na_0.15)Na_1.00(Ca_0.71Na_0.60)(Y_1.72Yb_0.10Er_0.06Dy_0.05Th_0.03Ce_0.01Tm_0.01Ca_0.05)[Si₁₂O_30.02](H₂O)_3.27 (K_2.76NaCa_1.12Y_1.66Yb_0.34Si₁₂O₃₀[H₂O]₄) Crystal Structure

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General Information

Phase Label(s): K_2.76NaCa_1.12Y_1.66Yb_0.34Si₁₂O₃₀[H₂O]₄
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): yakovenchukite-(Y)
Pearson Symbol: oP220
Space Group: 54
Phase Prototype: K_2.76NaCa_1.12(Y_0.83Yb_0.17)₂Si₁₂O₃₀[H₂O]₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F²; 1269 reflections; F > 4σ(F), R = 0.051; wR = 0.077
Sample Detail(s): yakovenchukite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Kukisvumchorr, electron microprobe analysis; (K_2.85Na_0.15)Na_1.00(Ca_0.71Na_0.60)(Y_1.72Yb_0.10Er_0.06Dy_0.05Th_0.03Ce_0.01Tm_0.01Ca_0.05)[Si₁₂O_30.02][H₂O]_3.27, single crystal (determination of cell parameters), single crystal, 0.01×0.04×0.22 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_2.76NaCa_1.12Y_1.66Yb_0.34Si₁₂O₃₀[H₂O]₄
Alphabetic Formula: Ca_1.12[H₂O]₄K_2.76NaO₃₀Si₁₂Y_1.66Yb_0.34
Published Formula: (K_2.85Na_0.15)Na_1.00(Ca_0.71Na_0.60)(Y_1.72Yb_0.10Er_0.06Dy_0.05Th_0.03Ce_0.01Tm_0.01Ca_0.05)[Si₁₂O_30.02](H₂O)_3.27
Refined Formula: Ca_1.12H₈K_2.76NaO₃₄Si₁₂Y_1.66Yb_0.34
Wyckoff Sequence: 54,f²⁴e²dc²ba
Z Formula Units: 4
Density: ρ = 2.73 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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Powder Pattern

published defraction line d [Å]	computed diffraction line for Cu Kα d [nm]	intensity I [1]	h [1]	k [1]	l [1]	Radiation	Remark
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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_1217136

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 (K2.85Na0.15)Na1.00(Ca0.71Na0.60)(Y1.72Yb0.10Er0.06Dy0.05Th0.03Ce0.01Tm0.01Ca0.05)[Si12O30.02](H2O)3.27 (K2.76NaCa1.12Y1.66Yb0.34Si12O30[H2O]4) Crystal Structure sd_1217136 (Springer-Verlag GmbH, Heidelberg, © 2016)

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