Ca2Cu9(AsO4)4(OH)8(CO3)(H2O)11 (Ca2Cu9[AsO4]4[CO3][OH]8[H2O]11 mon2) Crystal Structure
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: As4Ca2Cu9H30.84O36.42
- Wyckoff Sequence: 15,f28a
- Z Formula Units: 4
- Density: ρ = 3.37 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Anisotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1213124
©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016
Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland
SpringerMaterials Release 2016.
Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS
All Rights Reserved. Version 2016.10.
Project Coordinator: Shuichi Iwata
Section-Editor: Karin Cenzual (Crystal Structures)
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