(,Mg,Fe2+)(Al,Mg,Fe2+,Fe3+)9(Si,Al,B)5O21(OH,F) (Mg2.85Fe0.96Al6Si3.78B0.7O21[OH]0.85F0.15) Crystal Structure
General Information
- Phase Label(s): Mg2.85Fe0.96Al6Si3.78B0.7O21[OH]0.85F0.15
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): kornerupine
- Pearson Symbol: oS148
- Space Group: 63
- Phase Prototype: Mg3.2Fe0.3Al7.1Si3.6O20(O0.3[OH]0.6F0.1)2
- Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): hydroxide, borate, silicate, fluoride
- Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; F > 4σ(F), R = 0.021; wR = 0.054
- Sample Detail(s): kornerupine sample from South Africa, Namaqualand, electron microprobe analysis; Si3.799Al0.441B0.760Al5.433Mg3.127Fe2+0.579Fe3+0.148Mn2+0.022O21F0.039[OH]0.961, single crystal (determination of cell and structural parameters)
Substance Summary
- Standard Formula: Mg3.13Fe0.75Al5.87Si3.8B0.76O21[OH]0.96F0.04
- Alphabetic Formula: Al5.87B0.76F0.04Fe0.75Mg3.13O21[OH]0.96Si3.8
- Published Formula: (,Mg,Fe2+)(Al,Mg,Fe2+,Fe3+)9(Si,Al,B)5O21(OH,F)
- Refined Formula: Al5.87B0.76F0.04Fe0.75H0.96Mg3.13O21.96Si3.80
- Wyckoff Sequence: 63,h2g9fe2c4a
- Z Formula Units: 4
- Density: ρ = 3.37 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_1224062
©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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