Si1.967Al0.032Ti0.010Fe2+0.836Fe3+0.014Mn0.029Mg0.918Ca0.191Na0.003O6 (Na0.01Ca0.19Mg0.92Ti0.01Mn0.03Fe0.85Al0.03Si1.97O6) Crystal Structure
General Information
- Phase Label(s): Na0.01Ca0.19Mg0.92Ti0.01Mn0.03Fe0.85Al0.03Si1.97O6
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): pigeonite
- Pearson Symbol: mP44
- Space Group: 14
- Phase Prototype: Ca0.2Mg0.9Fe0.9Si2O6
- Measurement Detail(s): automatic diffractometer; 900 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): silicate
- Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2, R = 0.0431; wR = 0.0385
- Sample Detail(s): pigeonite sample from Brazil, Parana, sample prepared from pigeonite, electron microprobe analysis; composition detected as Si1.967Al0.032Ti0.010Fe2+0.836Fe3+0.014Mn0.029Mg0.918Ca0.191Na0.003O6, single crystal (determination of cell parameters), single crystal, 0.12×0.19×0.35 mm3 (determination of structural parameters)
Substance Summary
- Standard Formula: Na0.01Ca0.19Mg0.92Ti0.01Mn0.03Fe0.85Al0.03Si1.97O6
- Alphabetic Formula: Al0.03Ca0.19Fe0.85Mg0.92Mn0.03Na0.01O6Si1.97Ti0.01
- Published Formula: Si1.967Al0.032Ti0.010Fe2+0.836Fe3+0.014Mn0.029Mg0.918Ca0.191Na0.003O6
- Refined Formula: Al0.03Ca0.20Fe0.94Mg0.94Mn0.03Na0O6Si1.97Ti0.01
- Wyckoff Sequence: 14,e11
- Z Formula Units: 4
- Density: ρ = 3.56 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Anisotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1712229
©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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