Inorganic Solid Phases

coesite (SiO₂ coe) Crystal Structure

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General Information

Phase Label(s): SiO₂ coe
Structure Class(es): –
Classification by Properties: nonmetal
Mineral Name(s): coesite
Pearson Symbol: mS48
Space Group: 15
Phase Prototype: SiO₂
Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays (determination of structural parameters)
Phase Class(es): –
Compound Class(es): silicate
Interpretation Detail(s): complete structure determined, least-squares refinement; 1092 reflections; F > 3σ(F), R = 0.0243; wR = 0.0261
Sample Detail(s): coesite sample from synthetic, single crystal (determination of structural parameters)

Substance Summary

Standard Formula: SiO₂
Alphabetic Formula: O₂Si
Published Formula: coesite
Refined Formula: O₂Si
Wyckoff Sequence: 15,f⁵ec
Z Formula Units: 16
Density: ρ = 2.92 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_1409326

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 coesite (SiO2 coe) Crystal Structure sd_1409326 (Springer-Verlag GmbH, Heidelberg, © 2016)

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