The compound described by Ca3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent As(1) atoms. Sb(1) is bonded to twelve equivalent Ca(1) atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent Sb(1)Ca12 cuboctahedra, faces with six equivalent Sb(1)Ca12 cuboctahedra, and faces with eight equivalent As(1)Ca6 octahedra. As(1) is bonded to six equivalent Ca(1) atoms to form AsCa6 octahedra that share corners with six equivalent As(1)Ca6 octahedra and faces with eight equivalent Sb(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca3SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   5.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.469
_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
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  As  As4  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Ca3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Ca(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent As(1) atoms. Sb(1) is bonded to twelve equivalent Ca(1) atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent Sb(1)Ca12 cuboctahedra, faces with six equivalent Sb(1)Ca12 cuboctahedra, and faces with eight equivalent As(1)Ca6 octahedra. As(1) is bonded to six equivalent Ca(1) atoms to form AsCa6 octahedra that share corners with six equivalent As(1)Ca6 octahedra and faces with eight equivalent Sb(1)Ca12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ca3SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.490
_cell_length_b   5.490
_cell_length_c   5.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.469
_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
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  As  As4  1  0.500  0.500  0.500  1.0
[/CIF]
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