BaBOF3
Type: Volume Composition show more
ObjectId: 5115 ExternalId: 4036
Created: 2/1/2023 3:33:19 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: BaBOF3
[no file attached]
: B-Ba-F-O
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Ba | 1 | 16.667 % | |
| B | 1 | 16.667 % | |
| O | 1 | 16.667 % | |
| F | 3 | 50 % |
Associated Objects
-
Jiang D.,Wang Y.,Li H.,Yang A.,Pan S. BaBOF3: a new aurivillius-like b
Literature ReferenceJiang D.,Wang Y.,Li H.,Yang A.,Pan S. BaBOF3: a new aurivillius-like borate containing two types of F atoms
-
Pan S.,Mutailipu M.,Yang Z.,Wei Z.,Li F.,Baiheti T.,Han J.,Liu K. Find
Literature ReferencePan S.,Mutailipu M.,Yang Z.,Wei Z.,Li F.,Baiheti T.,Han J.,Liu K. Finding a Series of BaBOF3 Fluorooxoborate Polymorphs with Tunable Symmetries: A Simple but Flexible Case
-
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
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment | Modification |
|---|---|---|---|---|---|---|
| Monoclinic | Cc | 6.42 | 1 | 1712 | Indirect. Calculation. CASTEP | |
| Monoclinic | P21/c | 7.01 | 1 | 977 | Indirect. Calculation. CASTEP | |
| Monoclinic | P21/c | 8.83 | 1 | 1311 | Calculation. CASTEP | |
| Monoclinic | P21 | 6.68 | 1 | 1712 | Indirect. Calculation. CASTEP | α |
| Monoclinic | P21/c | 6.87 | 1 | 1712 | Indirect. Calculation. CASTEP | β |
| Monoclinic | P21/c | 7.01 | 1 | 1712 | Direct. Calculation. CASTEP | γ |