Data Item _atom_site.B_equiv_geom_mean
Browse:
General 
- Item name
- _atom_site.B_equiv_geom_mean
- Category name
- atom_site
- Attribute name
- B_equiv_geom_mean
- Required in PDB entries
- no
- Used in current PDB entries
- No
Item Description
Equivalent isotropic atomic displacement parameter, Beq,
in angstroms squared, calculated as the geometric mean of
the anisotropic atomic displacement parameters.
Beq = (Bi Bj Bk)1/3
Bn = the principal components of the orthogonalized Bij
The IUCr Commission on Nomenclature recommends against the use
of B for reporting atomic displacement parameters. U, being
directly proportional to B, is preferred.
Data Type 
- Data type code
- float
- Data type detail
- float item types are the subset of numbers that are the floating numbers.
- Primitive data type code
- numb
- Regular expression
- -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?
- Units
- 8pi2_angstroms_squared
Allowed Boundary Conditions
| Minimum Value | Maximum Value |
|---|---|
| 0.0 | +∞ |
Related Items 
| Related Item Name | Relation Type |
|---|---|
| _atom_site.B_equiv_geom_mean_esd | associated_esd |
| _atom_site.U_equiv_geom_mean | conversion_constant |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _atom_site_B_equiv_geom_mean | cif_core.dic | 2.0.1 |