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CoO19128.cif
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CoO19128.cif
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#\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving and
# transmission.
#
# For information on this file format, follow the CIF links at
# http://www.iucr.org
##########################################################################
data_CoO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.297078325
_cell_length_b 3.29707832413
_cell_length_c 5.254212582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.999999999
_chemical_name_systematic 'Generated by pymatgen'
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoO
_chemical_formula_sum 'Co2 O2'
_cell_volume 49.4648618286
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
_atom_site_label
_atom_site_occupancy
O 1 0.666666127557 0.33333174719 0.878675905847 0 . O1 1
O 1 0.333333498186 0.666666996573 0.378675199937 0 . O2 1
Co 1 0.666666127557 0.33333174719 0.496323656362 0 . Co3 1
Co 1 0.333333498186 0.666666996573 0.996324362271 0 . Co4 1