The material structure described by MgCo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Co(1,1) atoms to form MgCo12 cuboctahedra that share corners with six equivalent Mg(1)Co12 cuboctahedra; corners with twelve Co(1,1)Mg4Co8 cuboctahedra; edges with eighteen Co(1,1)Mg4Co8 cuboctahedra; faces with eight equivalent Mg(1)Co12 cuboctahedra; and faces with twelve Co(1,1)Mg4Co8 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Mg(1) and eight Co(1,1) atoms to form distorted CoMg4Co8 cuboctahedra that share corners with four equivalent Mg(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Mg4Co8 cuboctahedra; edges with six equivalent Mg(1)Co12 cuboctahedra; edges with twelve Co(1,1)Mg4Co8 cuboctahedra; faces with four equivalent Mg(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Mg4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Mg(1) and eight equivalent Co(1) atoms to form distorted CoMg4Co8 cuboctahedra that share corners with four equivalent Mg(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Mg4Co8 cuboctahedra; edges with six equivalent Mg(1)Co12 cuboctahedra; edges with twelve equivalent Co(1)Mg4Co8 cuboctahedra; faces with four equivalent Mg(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Mg4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_MgCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   4.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.858
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.667  0.333  0.250  1.0
  Mg  Mg1  1  0.333  0.667  0.750  1.0
  Co  Co2  1  0.159  0.319  0.250  1.0
  Co  Co3  1  0.681  0.841  0.250  1.0
  Co  Co4  1  0.159  0.841  0.250  1.0
  Co  Co5  1  0.841  0.159  0.750  1.0
  Co  Co6  1  0.319  0.159  0.750  1.0
  Co  Co7  1  0.841  0.681  0.750  1.0
[/CIF]
.
The material structure described by MgCo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Co(1,1) atoms to form MgCo12 cuboctahedra that share corners with six equivalent Mg(1)Co12 cuboctahedra; corners with twelve Co(1,1)Mg4Co8 cuboctahedra; edges with eighteen Co(1,1)Mg4Co8 cuboctahedra; faces with eight equivalent Mg(1)Co12 cuboctahedra; and faces with twelve Co(1,1)Mg4Co8 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Mg(1) and eight Co(1,1) atoms to form distorted CoMg4Co8 cuboctahedra that share corners with four equivalent Mg(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Mg4Co8 cuboctahedra; edges with six equivalent Mg(1)Co12 cuboctahedra; edges with twelve Co(1,1)Mg4Co8 cuboctahedra; faces with four equivalent Mg(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Mg4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Mg(1) and eight equivalent Co(1) atoms to form distorted CoMg4Co8 cuboctahedra that share corners with four equivalent Mg(1)Co12 cuboctahedra; corners with fourteen Co(1,1)Mg4Co8 cuboctahedra; edges with six equivalent Mg(1)Co12 cuboctahedra; edges with twelve equivalent Co(1)Mg4Co8 cuboctahedra; faces with four equivalent Mg(1)Co12 cuboctahedra; and faces with sixteen Co(1,1)Mg4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_MgCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   4.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.858
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.667  0.333  0.250  1.0
  Mg  Mg1  1  0.333  0.667  0.750  1.0
  Co  Co2  1  0.159  0.319  0.250  1.0
  Co  Co3  1  0.681  0.841  0.250  1.0
  Co  Co4  1  0.159  0.841  0.250  1.0
  Co  Co5  1  0.841  0.159  0.750  1.0
  Co  Co6  1  0.319  0.159  0.750  1.0
  Co  Co7  1  0.841  0.681  0.750  1.0
[/CIF]
.