(Mn2+0.015Mg0.009Ca2.976)(Ti0.178Al0.090Fe2+0.004Fe3+1.674Mg0.054)(Si2.879Al0.121)O12 (Ca2.91Ti0.07Fe0.41Al1.61[SiO4]3) Crystal Structure
General Information
- Phase Label(s): Ca2.91Ti0.07Fe0.41Al1.61[SiO4]3
- Structure Class(es): garnet family
- Classification by Properties: –
- Mineral Name(s): andradite/grossular
- Pearson Symbol: cI160
- Space Group: 230
- Phase Prototype: Ca3Al2[SiO4]3
- Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.041338 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): orthosilicate
- Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R = 0.0325
- Sample Detail(s): andradite sample from U.S.A. Arkansas, Magnet Cove, electron microprobe analysis; (Mn2+0.015Mg0.009Ca2.976)(Ti0.178Al0.090Fe2+0.004Fe3+1.674Mg0.054)(Si2.879Al0.121)O12, composition of three-phase sample; three-phase sample, powder (determination of cell and structural parameters)
Substance Summary
- Standard Formula: Ca3Ti0.18Fe1.68Al0.24[SiO4]2.88O0.48
- Alphabetic Formula: Al0.24Ca3Fe1.68[SiO4]2.88O0.48Ti0.18
- Published Formula: (Mn2+0.015Mg0.009Ca2.976)(Ti0.178Al0.090Fe2+0.004Fe3+1.674Mg0.054)(Si2.879Al0.121)O12
- Refined Formula: Ca2.81Fe1.68O12Si2.89
- Wyckoff Sequence: 230,hdca
- Z Formula Units: 8
- Density: ρ = 3.80 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_1239799
©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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