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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
Category CELL
Name:'CELL'
Parent category:
DIFFRN
Definition:
Data items in the CELL category record details about the
crystal unit-cell parameters.
Category is of type Set
This category contains the following items
- _cell.angle_alpha
- _cell.angle_alpha_su
- _cell.angle_beta
- _cell.angle_beta_su
- _cell.angle_gamma
- _cell.angle_gamma_su
- _cell.atomic_mass
- _cell.convert_Uij_to_betaij
- _cell.convert_Uij_to_betaij_su
- _cell.convert_Uiso_to_Uij
- _cell.convert_Uiso_to_Uij_su
- _cell.formula_units_Z
- _cell.formula_units_Z_details
- _cell.formula_units_Z_prime
- _cell.formula_units_Z_prime_details
- _cell.length_a
- _cell.length_a_su
- _cell.length_b
- _cell.length_b_su
- _cell.length_c
- _cell.length_c_su
- _cell.metric_tensor
- _cell.orthogonal_matrix
- _cell.reciprocal_angle_alpha
- _cell.reciprocal_angle_alpha_su
- _cell.reciprocal_angle_beta
- _cell.reciprocal_angle_beta_su
- _cell.reciprocal_angle_gamma
- _cell.reciprocal_angle_gamma_su
- _cell.reciprocal_length_a
- _cell.reciprocal_length_a_su
- _cell.reciprocal_length_b
- _cell.reciprocal_length_b_su
- _cell.reciprocal_length_c
- _cell.reciprocal_length_c_su
- _cell.reciprocal_metric_tensor
- _cell.reciprocal_metric_tensor_su
- _cell.reciprocal_orthogonal_matrix
- _cell.reciprocal_orthogonal_matrix_su
- _cell.reciprocal_vector_a
- _cell.reciprocal_vector_a_su
- _cell.reciprocal_vector_b
- _cell.reciprocal_vector_b_su
- _cell.reciprocal_vector_c
- _cell.reciprocal_vector_c_su
- _cell.special_details
- _cell.vector_a
- _cell.vector_a_su
- _cell.vector_b
- _cell.vector_b_su
- _cell.vector_c
- _cell.vector_c_su
- _cell.volume
- _cell.volume_su
