Li1−xFex(OH)Fe1−ySe, x~ 0.2, 0.02< y < 0.15 (Li0.8Fe1.2Se[OH]) Crystal Structure
General Information
- Phase Label(s): Li0.8Fe1.2Se[OH]
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): –
- Pearson Symbol: tP8
- Space Group: 129
- Phase Prototype: CuZrSiAs
- Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): hydroxide, selenide
- Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0301
- Sample Detail(s): sample prepared from FeSe, LiOH[H2O], H2O, powder (determination of cell and structural parameters)
Substance Summary
- Standard Formula: Li0.82Fe1.14Se[OH]
- Alphabetic Formula: Fe1.14Li0.82[OH]Se
- Published Formula: Li1−xFex(OH)Fe1−ySe, x~ 0.2, 0.02< y < 0.15
- Refined Formula: Fe1.14H0.90Li0.82OSe
- Wyckoff Sequence: 129,c2ba
- Z Formula Units: 2
- Density: ρ = 4.13 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_1642311
©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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