graphene.cif

data_CeO2_GO-P6
_audit_creation_date 2014-04-15
_audit_creation_method 'Materials Studio'
_symmetry_space_group_name_H-M 'P6/MMM'
_symmetry_Int_Tables_number 191
_symmetry_cell_setting hexagonal
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,z
y,-x+y,z
x-y,x,z
y,x,-z
x-y,-y,-z
-x,-x+y,-z
-y,-x,-z
-x+y,y,-z
x,x-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x,y,-z
-y,x-y,-z
-x+y,-x,-z
-y,-x,z
-x+y,y,z
x,x-y,z
y,x,z
x-y,-y,z
-x,-x+y,z
_cell_length_a 2.4600
_cell_length_b 2.4600
_cell_length_c 24.0000
_cell_angle_alpha 90.0000
_cell_angle_beta 90.0000
_cell_angle_gamma 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1 C 0.66667 0.33333 0.50000 0.00000 Uiso 1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C1 C1 1.420 4_765 A
C1 C1 1.420 4_665 A
C1 C1 1.420 4_665 A