Inorganic Solid Phases

Ca_3.59Na_0.35K_0.05Mg_0.06Al_7.88Fe_0.09Si_28.02O₇₂·38.25H₂O (Ca₂Al₄Si₁₄O₃₆[H₂O]_14.5) Crystal Structure

Get Access CIF Download help (pdf)

Impact of COVID-19 pandemic
If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic,
Get help with remote access
To view content, please Log in, contact your Springer representative, or get a free trial

General Information

Phase Label(s): Ca₂Al₄Si₁₄O₃₆[H₂O]_14.5
Structure Class(es): zeolite STI
Classification by Properties: –
Mineral Name(s): stellerite
Pearson Symbol: oF368
Space Group: 69
Phase Prototype: Ca₂Al₄Si₁₄O₃₆[H₂O]_14.5
Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1400 reflections, R = 0.0429; wR = 0.0479
Sample Detail(s): stellerite sample from Czech Republic, Vysocina Region, Dolni Rozinka, chemical analysis; Ca_3.59Na_0.35K_0.05Mg_0.06Al_7.88Fe_0.09Si_28.02O₇₂[H₂O]_38.28, single crystal (determination of cell parameters), single crystal, 0.2×0.3×0.5 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ca₂Al₄Si₁₄O₃₆[H₂O]₁₉
Alphabetic Formula: Al₄Ca₂[H₂O]₁₉O₃₆Si₁₄
Published Formula: Ca_3.59Na_0.35K_0.05Mg_0.06Al_7.88Fe_0.09Si_28.02O₇₂·38.25H₂O
Refined Formula: Al_4.16Ca₂H_35.36O_53.68Si_13.84
Wyckoff Sequence: 69,p⁶o⁵n³m²ih²gf
Z Formula Units: 4
Density: ρ = 2.24 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	Impact of COVID-19 pandemic If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic, Get help with remote access 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.
Impact of COVID-19 pandemic If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic, Get help with remote access 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
Impact of COVID-19 pandemic If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic, Get help with remote access To view content, please Log in, contact your Springer representative, or get a free trial

Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
Impact of COVID-19 pandemic If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic, Get help with remote access To view content, please Log in, contact your Springer representative, or get a free trial

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
Impact of COVID-19 pandemic If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic, Get help with remote access To view content, please Log in, contact your Springer representative, or get a free trial

Experimental Details

Impact of COVID-19 pandemic
If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic,
Get help with remote access
To view content, please Log in, contact your Springer representative, or get a free trial

Reference

Impact of COVID-19 pandemic
If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic,
Get help with remote access
To view content, please Log in, contact your Springer representative, or get a free trial

3D Interactive Structure

Impact of COVID-19 pandemic
If you are having trouble in accessing SpringerMaterials remotely during the COVID-19 pandemic,
Get help with remote access
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_1214506

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 Ca3.59Na0.35K0.05Mg0.06Al7.88Fe0.09Si28.02O72·38.25H2O (Ca2Al4Si14O36[H2O]14.5) Crystal Structure sd_1214506 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied

Ca3.59Na0.35K0.05Mg0.06Al7.88Fe0.09Si28.02O72·38.25H2O (Ca2Al4Si14O36[H2O]14.5) Crystal Structure

Impact of COVID-19 pandemic

General Information

Substance Summary

Cite this page

Crystallographic Data

Cell Parameters

Impact of COVID-19 pandemic

Atom Coordinates

Standardized

Impact of COVID-19 pandemic

Published

Impact of COVID-19 pandemic

Displacement Parameters

Isotropic

Impact of COVID-19 pandemic

Anisotropic

Impact of COVID-19 pandemic

Experimental Details

Impact of COVID-19 pandemic

Reference

Impact of COVID-19 pandemic

3D Interactive Structure

Impact of COVID-19 pandemic

About this content

Cite this content

Download this citation

Ca_3.59Na_0.35K_0.05Mg_0.06Al_7.88Fe_0.09Si_28.02O₇₂·38.25H₂O (Ca₂Al₄Si₁₄O₃₆[H₂O]_14.5) Crystal Structure