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CuCl.cif
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CuCl.cif
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# generated using pymatgen
data_CuCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52372159
_cell_length_b 6.52372159
_cell_length_c 6.52372159
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuCl
_chemical_formula_sum 'Cu8 Cl8'
_cell_volume 277.64269780
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl1 1 0.157170 0.342830 0.657170 1
Cl Cl2 1 0.342830 0.657170 0.157170 1
Cl Cl3 1 0.657170 0.157170 0.342830 1
Cl Cl4 1 0.842830 0.842830 0.842830 1
Cl Cl5 1 0.842830 0.657170 0.342830 1
Cl Cl6 1 0.657170 0.342830 0.842830 1
Cl Cl7 1 0.342830 0.842830 0.657170 1
Cl Cl8 1 0.157170 0.157170 0.157170 1
Cu Cu9 1 0.619186 0.880814 0.119186 1
Cu Cu10 1 0.880814 0.119186 0.619186 1
Cu Cu11 1 0.119186 0.619186 0.880814 1
Cu Cu12 1 0.380814 0.380814 0.380814 1
Cu Cu13 1 0.380814 0.119186 0.880814 1
Cu Cu14 1 0.119186 0.880814 0.380814 1
Cu Cu15 1 0.880814 0.380814 0.119186 1
Cu Cu16 1 0.619186 0.619186 0.619186 1