data_MgC2
_chemical_name_systematic 'Magnesium carbide (1/2)'
_chemical_formula_structural 'Mg C2'
_chemical_formula_sum 'C2 Mg1'
_exptl_crystal_density_diffrn 2.07
_cell_measurement_temperature 295.
_publ_section_title 'The crystal structure of magnesium dicarbide'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Alloys and Compounds' 1999 282 72 75 JALCEU
loop_
_publ_author_name
'Karen, P.'
'Kjekshus, A.'
'Huang, Q.'
'Karen, V.L.'
_cell_length_a 3.9342(7)
_cell_length_b 3.9342(7)
_cell_length_c 5.021(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 77.71
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P 42/m n m'
_symmetry_Int_Tables_number 136
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-y+1/2, x+1/2, -z+1/2'
2 'y+1/2, -x+1/2, -z+1/2'
3 'y, x, -z'
4 '-y, -x, -z'
5 'y+1/2, -x+1/2, z+1/2'
6 '-y+1/2, x+1/2, z+1/2'
7 '-y, -x, z'
8 'y, x, z'
9 'x+1/2, -y+1/2, -z+1/2'
10 '-x+1/2, y+1/2, -z+1/2'
11 'x, y, -z'
12 '-x, -y, -z'
13 '-x+1/2, y+1/2, z+1/2'
14 'x+1/2, -y+1/2, z+1/2'
15 '-x, -y, z'
16 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg0+ 0
C0+ 0
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_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Mg1 Mg0+ 2 b 0 0 0.5 2.5(2) 1. 0
C1 C0+ 4 f 0.1092(6) 0.1092(6) 0 1.0(1) 1. 0