BaB4O6F2
Type: Volume Composition show more
ObjectId: 5180 ExternalId: 4108
Created: 2/1/2023 3:33:19 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: BaB4O6F2
[no file attached]
: B-Ba-F-O
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Ba | 1 | 7.692 % | |
| B | 4 | 30.769 % | |
| O | 6 | 46.154 % | |
| F | 2 | 15.385 % |
Associated Objects
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Shu S.,Huang J.,Hu C.,Pan S.,Yang Z. Hierarchical Modulation of Optica
Literature ReferenceShu S.,Huang J.,Hu C.,Pan S.,Yang Z. Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII = Be, Mg, Pb, Zn, Cd)
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Tudi A.,Han S.,Yang Z.,Pan S. Band-Gap Modulation of Nonlinear-Optical
Literature ReferenceTudi A.,Han S.,Yang Z.,Pan S. Band-Gap Modulation of Nonlinear-Optical Fluorooxoborates by Controlling the F/B Ratios
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Zhang Z.,Wang Y.,Zhang B.,Yang Z.,Pan S. Designing Deep-UV Birefringen
Literature ReferenceZhang Z.,Wang Y.,Zhang B.,Yang Z.,Pan S. Designing Deep-UV Birefringent Crystals by Cation Regulation
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Monoclinic | P21/n | 6.76 | 1 | 1023 | Indirect. Calculation. CASTEP-GGA |
| Monoclinic | P21/n | 6.77 | 1 | 1767 | Indirect. Calculation. CASTEP (GGA) |
| Monoclinic | P21/n | 8.33 | 1 | 1767 | Indirect. Calculation. CASTEP (HSE06) |
| Monoclinic | P21/n | 8.44 | 1 | 1311 | Calculation. CASTEP |
| Monoclinic | P21/n | 8.44 | 1 | 1023 | Indirect. Calculation. CASTEP-HSE06 |