The structure described by Mg6Bi2PN crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a distorted linear geometry to four equivalent Bi(1), one P(1), and one N(1) atom. Bi(1) is bonded to twelve equivalent Mg(1) atoms to form BiMg12 cuboctahedra that share corners with twelve equivalent Bi(1)Mg12 cuboctahedra, faces with six equivalent Bi(1)Mg12 cuboctahedra, faces with four equivalent P(1)Mg6 octahedra, and faces with four equivalent N(1)Mg6 octahedra. P(1) is bonded to six equivalent Mg(1) atoms to form PMg6 octahedra that share corners with six equivalent N(1)Mg6 octahedra and faces with eight equivalent Bi(1)Mg12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to six equivalent Mg(1) atoms to form NMg6 octahedra that share corners with six equivalent P(1)Mg6 octahedra and faces with eight equivalent Bi(1)Mg12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6Bi2PN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.612
_cell_length_c   6.612
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   204.394
_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
  Mg  Mg0  1  0.230  0.770  0.770  1.0
  Mg  Mg1  1  0.230  0.770  0.230  1.0
  Mg  Mg2  1  0.770  0.230  0.770  1.0
  Mg  Mg3  1  0.770  0.770  0.230  1.0
  Mg  Mg4  1  0.230  0.230  0.770  1.0
  Mg  Mg5  1  0.770  0.230  0.230  1.0
  Bi  Bi6  1  0.250  0.250  0.250  1.0
  Bi  Bi7  1  0.750  0.750  0.750  1.0
  P  P8  1  0.500  0.500  0.500  1.0
  N  N9  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Mg6Bi2PN crystallizes in the cubic Fm-3m space group. Mg(1) is bonded in a distorted linear geometry to four equivalent Bi(1), one P(1), and one N(1) atom. Bi(1) is bonded to twelve equivalent Mg(1) atoms to form BiMg12 cuboctahedra that share corners with twelve equivalent Bi(1)Mg12 cuboctahedra, faces with six equivalent Bi(1)Mg12 cuboctahedra, faces with four equivalent P(1)Mg6 octahedra, and faces with four equivalent N(1)Mg6 octahedra. P(1) is bonded to six equivalent Mg(1) atoms to form PMg6 octahedra that share corners with six equivalent N(1)Mg6 octahedra and faces with eight equivalent Bi(1)Mg12 cuboctahedra. The corner-sharing octahedra are not tilted. N(1) is bonded to six equivalent Mg(1) atoms to form NMg6 octahedra that share corners with six equivalent P(1)Mg6 octahedra and faces with eight equivalent Bi(1)Mg12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6Bi2PN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   6.612
_cell_length_c   6.612
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   204.394
_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
  Mg  Mg0  1  0.230  0.770  0.770  1.0
  Mg  Mg1  1  0.230  0.770  0.230  1.0
  Mg  Mg2  1  0.770  0.230  0.770  1.0
  Mg  Mg3  1  0.770  0.770  0.230  1.0
  Mg  Mg4  1  0.230  0.230  0.770  1.0
  Mg  Mg5  1  0.770  0.230  0.230  1.0
  Bi  Bi6  1  0.250  0.250  0.250  1.0
  Bi  Bi7  1  0.750  0.750  0.750  1.0
  P  P8  1  0.500  0.500  0.500  1.0
  N  N9  1  0.000  0.000  0.000  1.0
[/CIF]
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