The compound described by Ca3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a distorted linear geometry to four equivalent Au(1) and two equivalent N(1) atoms. Au(1) is bonded to twelve equivalent Ca(1) atoms to form AuCa12 cuboctahedra that share corners with twelve equivalent Au(1)Ca12 cuboctahedra, faces with six equivalent Au(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 Au(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   4.845
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.730
_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
  Au  Au3  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 compound described by Ca3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a distorted linear geometry to four equivalent Au(1) and two equivalent N(1) atoms. Au(1) is bonded to twelve equivalent Ca(1) atoms to form AuCa12 cuboctahedra that share corners with twelve equivalent Au(1)Ca12 cuboctahedra, faces with six equivalent Au(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 Au(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   4.845
_cell_length_c   4.845
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   113.730
_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
  Au  Au3  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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