The material structure described by BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure consists of one ammonia atom inside a Ca3Bi framework. In the Ca3Bi framework, Ca(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. Bi(1) is bonded to six equivalent Ca(1) atoms to form corner-sharing BiCa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca3BiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   5.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.202
_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  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure consists of one ammonia atom inside a Ca3Bi framework. In the Ca3Bi framework, Ca(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. Bi(1) is bonded to six equivalent Ca(1) atoms to form corner-sharing BiCa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca3BiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   5.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.202
_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  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  N  N4  1  0.000  0.000  0.000  1.0
[/CIF]
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