Inorganic Solid Phases

Mn₄₆Si₁₀₀Al₉₂O₃₈₄·30CO (Mn₁₂Al₂₄Si₂₄O₉₆[CO]_7.5) Crystal Structure

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General Information

Phase Label(s): Mn₁₂Al₂₄Si₂₄O₉₆[CO]_7.5
Structure Class(es): zeolite FAU
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF688
Space Group: 203
Phase Prototype: Mn₁₂Al₂₄[SiO₄]₂₄[CO]_7.5
Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294(1) K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): carbonyl, silicate
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 321 reflections; I > 3σ(I), R = 0.055; wR = 0.049
Sample Detail(s): sample prepared from Na₉₂Si₁₀₀Al₉₂O₃₈₄ (X zeolite), single crystal (determination of cell parameters), single crystal, 0.25 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Mn₁₂Al₂₄Si₂₄O₉₆[CO]_7.5
Alphabetic Formula: Al₂₄[CO]_7.5Mn₁₂O₉₆Si₂₄
Published Formula: Mn₄₆Si₁₀₀Al₉₂O₃₈₄·30CO
Refined Formula: Al₂₄C_7.50Mn_11.50O_103.50Si₂₄
Wyckoff Sequence: 203,g⁶e³c
Z Formula Units: 4
Density: ρ = 1.64 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_1001537

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 Mn46Si100Al92O384·30CO (Mn12Al24Si24O96[CO]7.5) Crystal Structure sd_1001537 (Springer-Verlag GmbH, Heidelberg, © 2016)

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