Ca0.993Zr1.304Ti1.700O7 (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; 24 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): oxide
- Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 2011 reflections; F > 3σ(F), R = 0.045; wR = 0.055
- Sample Detail(s): zirkonolite sample from synthetic, sample prepared from TiO2 rutile, ZrO2, CaCO3, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.25 mm3 (determination of structural parameters)
Substance Summary
- Standard Formula: Ca0.993Zr1.304Ti1.700O7
- Alphabetic Formula: Ca0.993O7Ti1.700Zr1.304
- Published Formula: Ca0.993Zr1.304Ti1.700O7
- Refined Formula: CaO7Ti1.73Zr1.27
- Wyckoff Sequence: 15,f11e
- Z Formula Units: 8
- Density: ρ = 4.57 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_1405107
©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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