The compound described by BaMg2N2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 octahedra that share corners with twelve equivalent Mg(1)N4 tetrahedra, edges with six equivalent Ba(1)N6 octahedra, and edges with six equivalent Mg(1)N4 tetrahedra. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with six equivalent Ba(1)N6 octahedra, corners with six equivalent Mg(1)N4 tetrahedra, edges with three equivalent Ba(1)N6 octahedra, and edges with three equivalent Mg(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-47°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg2N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   3.727
_cell_length_c   6.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.282
_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  0.500  1.0
  Mg  Mg1  1  0.667  0.333  0.123  1.0
  Mg  Mg2  1  0.333  0.667  0.877  1.0
  N  N3  1  0.667  0.333  0.794  1.0
  N  N4  1  0.333  0.667  0.206  1.0
[/CIF]
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The compound described by BaMg2N2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent N(1) atoms to form distorted BaN6 octahedra that share corners with twelve equivalent Mg(1)N4 tetrahedra, edges with six equivalent Ba(1)N6 octahedra, and edges with six equivalent Mg(1)N4 tetrahedra. Mg(1) is bonded to four equivalent N(1) atoms to form MgN4 tetrahedra that share corners with six equivalent Ba(1)N6 octahedra, corners with six equivalent Mg(1)N4 tetrahedra, edges with three equivalent Ba(1)N6 octahedra, and edges with three equivalent Mg(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-47°. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg2N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   3.727
_cell_length_c   6.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.282
_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  0.500  1.0
  Mg  Mg1  1  0.667  0.333  0.123  1.0
  Mg  Mg2  1  0.333  0.667  0.877  1.0
  N  N3  1  0.667  0.333  0.794  1.0
  N  N4  1  0.333  0.667  0.206  1.0
[/CIF]
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