Inorganic Solid Phases

Ca_1.26Na_6.63K_0.04[Al₆Si₆O₂₄](SO₄)_1.53S_0.99Cl_0.05 incommensurately modulated monoclinic (Na_13.2Ca_2.6Al₁₂Si₁₂S₂[SO₄]₃Cl_0.1O₄₈) Crystal Structure

Get Access CIF Download help (pdf)

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

General Information

Phase Label(s): Na_13.2Ca_2.6Al₁₂Si₁₂S₂[SO₄]₃Cl_0.1O₄₈
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): haüyne/lazurite inc
Pearson Symbol: *
Space Group: *
Phase Prototype: incommensurate
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfate, silicate, chloride, sulfide
Interpretation Detail(s): average structure determined, least-squares refinement; 2057 reflections; F > 3σ(F), R = 0.069
Sample Detail(s): lazurite sample from Russia, Prebaikal (Pribaikale), Malaya Bystraya deposit, single crystal (determination of cell parameters), single crystal, 0.14×0.31×0.31 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Na_13.2Ca_2.6Al₁₂Si₁₂S₂[SO₄]₃Cl_0.1O₄₈
Alphabetic Formula: Al₁₂Ca_2.6Cl_0.1Na_13.2O₄₈S₂[SO₄]₃Si₁₂
Published Formula: Ca_1.26Na_6.63K_0.04[Al₆Si₆O₂₄](SO₄)_1.53S_0.99Cl_0.05 incommensurately modulated monoclinic
Refined Formula: Al₁₂Ca_2.56Na_13.44O_60.28S_4.82Si₁₂
Wyckoff Sequence: 7,a⁸⁷
Z Formula Units: 1
Density: ρ = 2.42 Mg·m⁻³

View 3D Interactive Structure

Cite this page

Citation

Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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.
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Experimental Details

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

Reference

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

3D Interactive Structure

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1620677

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 Ca1.26Na6.63K0.04[Al6Si6O24](SO4)1.53S0.99Cl0.05 incommensurately modulated monoclinic (Na13.2Ca2.6Al12Si12S2[SO4]3Cl0.1O48) Crystal Structure sd_1620677 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied