CaZr0.92Ti2.08O7 (CaZrTi2O7) Crystal Structure
General Information
- Phase Label(s): CaZrTi2O7
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): zirconolite 2M
- Pearson Symbol: mS92
- Space Group: 15
- Phase Prototype: CaZrTi2O7
- Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, HIFAR reactor, HRPD (determination of structural parameters), neutrons; λ = 0.1891654 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): oxide
- Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.068; wRP = 0.054; RB = 0.018
- Sample Detail(s): sample prepared from CaCO3, ZrO2, TiO2 rutile, electron microprobe analysis, powder (determination of cell and structural parameters)
Substance Summary
- Standard Formula: CaZr0.92Ti2.08O7
- Alphabetic Formula: CaO7Ti2.08Zr0.92
- Published Formula: CaZr0.92Ti2.08O7
- Refined Formula: CaO7Ti2.08Zr0.92
- Wyckoff Sequence: 15,f11e
- Z Formula Units: 8
- Density: ρ = 4.41 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_1409041
©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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