#------------------------------------------------------------------------------
#$Date: 2023-12-07 12:47:30 +0200 (Thu, 07 Dec 2023) $
#$Revision: 288119 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/83/1568394.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1568394
loop_
_publ_author_name
'Radevych, Danylo'
'Gajdardziska-Josifovska, Marija'
'Weinert, Michael'
_publ_section_title
;
 Two-dimensional crystal phases of graphene monoxide
;
_journal_issue                   5
_journal_name_full               'Physical Review B'
_journal_paper_doi               10.1103/PhysRevB.107.054104
_journal_volume                  107
_journal_year                    2023
_chemical_formula_sum            'C12 O12'
_chemical_formula_weight         56.02
_chemical_name_common            'Cmm2 graphene monoxide (Cmm2-GmO)'
_space_group_IT_number           35
_space_group_name_Hall           'C 2 -2'
_space_group_name_H-M_alt        'C m m 2'
_space_group.reference_setting   '035:C 2 -2'
_space_group.transform_Pp_abc    a,b,c;0,0,0
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_H-M   'C m m 2'
_audit_creation_method           FINDSYM
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_formula_units_Z            6
_cell_length_a                   9.38
_cell_length_b                   5.23
_cell_length_c                   25.0000000000
_cell_volume                     1226.435
_journal_article_reference       054104
_cod_data_source_file            cmm2-gmo.cif
_cod_data_source_block           findsym-output
_cod_depositor_comments          'DOI added.'
_cod_struct_determination_method theoretical
_cod_database_code               1568394
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,z
4 x,-y,z
5 x+1/2,y+1/2,z
6 -x+1/2,-y+1/2,z
7 -x+1/2,y+1/2,z
8 x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_fract_symmform
O1 O 4 c 0.25000 0.25000 0.0268 1.00000 0,0,Dz
O2 O 4 d 0.16200 0.00000 -0.0472 1.00000 Dx,0,Dz
C1 C 8 f 0.13519 0.14200 0.0000 1.00000 Dx,Dy,Dz
O3 O 2 b 0.00000 0.50000 0.0416 1.00000 0,0,Dz
O4 O 2 b 0.00000 0.50000 -0.0416 1.00000 0,0,Dz
C2 C 4 e 0.00000 0.30900 0.0000 1.00000 0,Dy,Dz
