KBaCuV2O7Cl (KBaCu[V2O7]Cl) Crystal Structure
General Information
- Phase Label(s): KBaCu[V2O7]Cl
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): –
- Pearson Symbol: tP26
- Space Group: 100
- Phase Prototype: (K0.5Ba0.5)2Cu[V2O7]Cl
- Measurement Detail(s): automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
- Phase Class(es): –
- Compound Class(es): divanadate, chloride
- Interpretation Detail(s): complete structure determined, least-squares refinement; 20 variables; 508 reflections; F > 4σ(F), R = 0.088; wR = 0.084
- Sample Detail(s): sample prepared from BaCO3, CuO, V2O5, energy-dispersive X-ray analysis; K, Ba, Cu, V and Cl content analyzed, single crystal (determination of structural parameters)
Substance Summary
- Standard Formula: KBaCu[V2O7]Cl
- Alphabetic Formula: BaClCuK[V2O7]
- Published Formula: KBaCuV2O7Cl
- Refined Formula: BaClCuKO7V2
- Wyckoff Sequence: 100,dc3ba2
- Z Formula Units: 2
- Density: ρ = 3.79 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1710102
©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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