The material structure described by BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a linear geometry to four equivalent Bi(1) and two equivalent N(1) atoms. Bi(1) is bonded to twelve equivalent Ca(1) atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent Bi(1)Ca12 cuboctahedra, faces with six equivalent Bi(1)Ca12 cuboctahedra, and faces with eight equivalent N(1)Ca6 octahedra. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra and faces with eight equivalent Bi(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca3BiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   4.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.674
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a linear geometry to four equivalent Bi(1) and two equivalent N(1) atoms. Bi(1) is bonded to twelve equivalent Ca(1) atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent Bi(1)Ca12 cuboctahedra, faces with six equivalent Bi(1)Ca12 cuboctahedra, and faces with eight equivalent N(1)Ca6 octahedra. N(1) is bonded to six equivalent Ca(1) atoms to form NCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra and faces with eight equivalent Bi(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca3BiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   4.900
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.674
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.500  0.500  0.500  1.0
[/CIF]
.