The material described by Ba3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent P(1) and two equivalent N(1) atoms. P(1) is bonded to twelve equivalent Ba(1) atoms to form PBa12 cuboctahedra that share corners with twelve equivalent P(1)Ba12 cuboctahedra, faces with six equivalent P(1)Ba12 cuboctahedra, and faces with eight equivalent N(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent P(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3PN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   5.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.943
_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  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Ba3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded in a linear geometry to four equivalent P(1) and two equivalent N(1) atoms. P(1) is bonded to twelve equivalent Ba(1) atoms to form PBa12 cuboctahedra that share corners with twelve equivalent P(1)Ba12 cuboctahedra, faces with six equivalent P(1)Ba12 cuboctahedra, and faces with eight equivalent N(1)Ba6 octahedra. N(1) is bonded to six equivalent Ba(1) atoms to form NBa6 octahedra that share corners with six equivalent N(1)Ba6 octahedra and faces with eight equivalent P(1)Ba12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3PN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.451
_cell_length_c   5.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.943
_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  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
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