#------------------------------------------------------------------------------
#$Date: 2018-07-16 15:57:11 +0300 (Mon, 16 Jul 2018) $
#$Revision: 209052 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010060.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_1010060
loop_
_publ_author_name
'de Smedt, J.'
'Keesom, W. H.'
_publ_section_title
;
 The structure of solid nitrous oxide and carbon dioxide
;
_journal_coden_ASTM              PKNAAU
_journal_name_full
;
 Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen
;
_journal_page_first              839
_journal_page_last               846
_journal_volume                  27
_journal_year                    1924
_chemical_formula_structural     'C O2'
_chemical_formula_sum            'C O2'
_chemical_name_systematic        'Carbon dioxide'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.63
_cell_length_b                   5.63
_cell_length_c                   5.63
_cell_volume                     178.5
_exptl_crystal_density_meas      1.63
_cod_depositor_comments
;
 Merging entries 1010149-1010150 with entries 1010059-1010060 and marking
 entries 1010149-1010150 as duplicates of entries 1010059-1010060.

 Antanas Vaitkus,
 2018-07-16
;
_cod_database_code               1010060
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z
4 -x,y+1/2,-z+1/2
5 z,x,y
6 -z+1/2,-x,y+1/2
7 z+1/2,-x+1/2,-y
8 -z,x+1/2,-y+1/2
9 y,z,x
10 y+1/2,-z+1/2,-x
11 -y,z+1/2,-x+1/2
12 -y+1/2,-z,x+1/2
13 -x,-y,-z
14 x+1/2,y,-z+1/2
15 -x+1/2,y+1/2,z
16 x,-y+1/2,z+1/2
17 -z,-x,-y
18 z+1/2,x,-y+1/2
19 -z+1/2,x+1/2,y
20 z,-x+1/2,y+1/2
21 -y,-z,-x
22 -y+1/2,z+1/2,x
23 y,-z+1/2,x+1/2
24 y+1/2,z,-x+1/2
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_calc_flag
C1 C4+ 4 a 0 0 0 1 d
O1 O2- 8 c 0.108 0.108 0.108 1 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+ 4
O2- -2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 274
2 AMCSD 0016996
