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This journal is The Owner Societies 2000 Supplementary Debatable 4. Atomic coordinates (x 104) and equivalent isotropic displacement parameters (2 × 103) for as prepared, CoDAF4 with e.s.d.\'s in
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How to fill out and equivalent isotropic displacement

01
To fill out an equivalent isotropic displacement, follow these steps:
02
Start by determining the crystal structure and the number of atoms in the unit cell.
03
Calculate the displacement parameters for each atom in the unit cell. These parameters describe the average displacement of the atom from its equilibrium position.
04
Determine the equivalent isotropic displacement by averaging the displacement parameters for all the atoms in the unit cell.
05
Convert the displacement to a thermal factor by multiplying it by a scaling factor, usually denoted by B.
06
Record the equivalent isotropic displacement and its thermal factor in the appropriate documentation or crystallographic file format.

Who needs and equivalent isotropic displacement?

01
Equivalent isotropic displacement is needed by crystallographers and materials scientists.
02
It is used to characterize the thermal vibration and disorder in a crystal structure.
03
By analyzing the equivalent isotropic displacement, researchers can gain insights into the structural stability, thermal conductivity, and other physical properties of materials.

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An equivalent isotropic displacement is a measure used in crystallography to quantify the extent of atomic displacement from an ideal lattice position in a crystal. It represents the average displacement of atoms in a crystalline solid.
Researchers and scientists working in the field of crystallography or those who conduct studies involving materials characterization and structure determination are typically required to report equivalent isotropic displacements.
To fill out an equivalent isotropic displacement, one must collect data on the positions of atoms within the crystal lattice, calculate the displacement from the average position, and report these values in the standardized format as per the relevant guidelines or publication requirements.
The purpose of reporting an equivalent isotropic displacement is to provide insight into the stability and dynamics of the crystal structure by quantifying the thermal vibrations and disorder of atoms within the material.
Information that must be reported includes the atomic coordinates, the equivalent isotropic displacement values (U_eq), and any relevant temperature factors or conditions under which the data was obtained.
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