#------------------------------------------------------------------------------
#$Date: 2025-02-03 14:53:56 +0200 (Mon, 03 Feb 2025) $
#$Revision: 297571 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/08/4350825.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_4350825
loop_
_publ_author_name
'Strobel, Timothy A.'
'Kurakevych, Oleksandr O.'
'Kim, Duck Young'
'Le Godec, Yann'
'Crichton, Wilson'
'Guignard, Jérémy'
'Guignot, Nicolas'
'Cody, George D.'
'Oganov, Artem R.'
_publ_section_title
;
 Synthesis of β-Mg2C3: A Monoclinic High-Pressure Polymorph of Magnesium
 Sesquicarbide
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   13
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7020
_journal_page_last               7027
_journal_paper_doi               10.1021/ic500960d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C3 Mg2'
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 126.7100
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   4.831
_cell_length_b                   4.7000
_cell_length_c                   6.029
_cell_volume                     109.743
_cod_data_source_file            Mg2C3_beta_AC_InChem_c2m.cif
_cod_data_source_block           Mg2C3-BETA
_cod_original_sg_symbol_H-M      C2/M
_cod_original_formula_sum        Mg2C3
_cod_database_code               4350825
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Mg1 Mg2+ 0.60760 0.00000 0.79890 0.01267 Uiso 1.00
C1 C2- 0.03740 0.00000 0.73850 0.01267 Uiso 1.00
C3 C0 0.00000 0.00000 0.50000 0.01267 Uiso 1.00
