The material structure described by Ba(MgAs)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent As(1) atoms to form BaAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Ba(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Ba(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Ba(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. As(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Ba(MgAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.493
_cell_length_b   4.493
_cell_length_c   7.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   135.839
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.667  0.333  0.377  1.0
  Mg  Mg2  1  0.333  0.667  0.623  1.0
  As  As3  1  0.667  0.333  0.725  1.0
  As  As4  1  0.333  0.667  0.275  1.0
[/CIF]
.
The material structure described by Ba(MgAs)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent As(1) atoms to form BaAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Ba(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Ba(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Ba(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. As(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Ba(MgAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.493
_cell_length_b   4.493
_cell_length_c   7.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   135.839
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.667  0.333  0.377  1.0
  Mg  Mg2  1  0.333  0.667  0.623  1.0
  As  As3  1  0.667  0.333  0.725  1.0
  As  As4  1  0.333  0.667  0.275  1.0
[/CIF]
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