Inorganic Solid Phases

Na_0.2Ca_0.8Al_3.9Si_2.1O₁₁[OH] Crystal Structure

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General Information

Phase Label(s): Na_0.2Ca_0.8Al_3.9Si_2.1O₁₁[OH]
Structure Class(es): mica family
Classification by Properties: –
Mineral Name(s): margarite
Pearson Symbol: mS76
Space Group: 9
Phase Prototype: (Na_0.2Ca_0.8)Al₂(Al_0.48Si_0.52)₄O₁₁[OH]
Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, silicate
Interpretation Detail(s): complete structure determined, least-squares refinement; 76 variables; 1071 reflections; I > 2σ(I), R = 0.075; wR = 0.095
Sample Detail(s): margarite sample from U.S.A. Pennsylvania, Corundum Hill, electron microprobe analysis; 31.58 wt.% SiO₂, 49.29 wt.% Al₂O₃, 11.35 wt.% CaO, 1.46 wt.% Na₂O et al., single crystal (determination of cell parameters), single crystal, 0.02×0.30×0.32 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Na_0.2Ca_0.8Al_3.9Si_2.1O₁₁[OH]
Alphabetic Formula: Al_3.9Ca_0.8Na_0.2O₁₁[OH]Si_2.1
Published Formula: Na_0.2Ca_0.8Al_3.9Si_2.1O₁₁[OH]
Refined Formula: Al_3.88Ca_0.80HNa_0.20O₁₂Si_2.12
Wyckoff Sequence: 9,a¹⁹
Z Formula Units: 4
Density: ρ = 3.05 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 B [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_1615821

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 Na0.2Ca0.8Al3.9Si2.1O11[OH] Crystal Structure sd_1615821 (Springer-Verlag GmbH, Heidelberg, © 2016)

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