data_1511477
_publ_section_title
;
 Structure cristalline de tetraborure de magnesium
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C,
 Sciences Chimiques (1966-)
;
_journal_page_first              41
_journal_page_last               44
_journal_volume                  275
_journal_year                    1972
_chemical_formula_sum            'B4 Mg'
_chemical_name_systematic        'Mg B4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.464
_cell_length_b                   4.428
_cell_length_c                   7.472
_cell_volume                     180.782
_citation_journal_id_ASTM        CHDCAQ
_[local]_cod_data_source_file    boron4-x_108.cif
_[local]_cod_data_source_block   B4Mg1
_[local]_cod_chemical_formula_sum_orig 'B4 Mg1'
_cod_database_code               1511477
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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_occupancy
_atom_site_U_iso_or_equiv
B1 B 0.725 0.25 0.343 1 0.0
Mg1 Mg 0.051 0.25 0.864 1 0.0
B2 B 0.559 0.25 0.146 1 0.0
B3 B 0.13 0.442 0.566 1 0.0
