Inorganic Solid Phases

Ca₂Cu₉(AsO₄)₄(OH)₈(CO₃)(H₂O)₁₁ (Ca₂Cu₉[AsO₄]₄[CO₃][OH]₈[H₂O]₁₁ mon2) 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): Ca₂Cu₉[AsO₄]₄[CO₃][OH]₈[H₂O]₁₁ mon2
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): tyrolite 2M
Pearson Symbol: mS228
Space Group: 15
Phase Prototype: Ca₂Cu₉[AsO₄]₄[CO₃][OH]₈[H₂O]₁₁
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): arsenate, carbonate, hydroxide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2666 reflections; F > 4σ(F), R = 0.144
Sample Detail(s): tyrolite sample from Austria, Tyrol, Schwaz-Brixlegg, single crystal (determination of cell parameters), single crystal, 0.03×0.12×0.18 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ca₂Cu₉[AsO₄]₄[CO₃][OH]₈[H₂O]₁₁
Alphabetic Formula: [AsO₄]₄[CO₃]Ca₂Cu₉[H₂O]₁₁[OH]₈
Published Formula: Ca₂Cu₉(AsO₄)₄(OH)₈(CO₃)(H₂O)₁₁
Refined Formula: As₄Ca₂Cu₉H_30.84O_36.42
Wyckoff Sequence: 15,f²⁸a
Z Formula Units: 4
Density: ρ = 3.37 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 U [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

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1213124

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 Ca2Cu9(AsO4)4(OH)8(CO3)(H2O)11 (Ca2Cu9[AsO4]4[CO3][OH]8[H2O]11 mon2) Crystal Structure sd_1213124 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied