The material described by Y3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Y(1) is bonded in a linear geometry to four equivalent Ga(1) and two equivalent C(1) atoms. Ga(1) is bonded to twelve equivalent Y(1) atoms to form GaY12 cuboctahedra that share corners with twelve equivalent Ga(1)Y12 cuboctahedra, faces with six equivalent Ga(1)Y12 cuboctahedra, and faces with eight equivalent C(1)Y6 octahedra. C(1) is bonded to six equivalent Y(1) atoms to form CY6 octahedra that share corners with six equivalent C(1)Y6 octahedra and faces with eight equivalent Ga(1)Y12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Y3GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   4.854
_cell_length_c   4.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.387
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Y3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Y(1) is bonded in a linear geometry to four equivalent Ga(1) and two equivalent C(1) atoms. Ga(1) is bonded to twelve equivalent Y(1) atoms to form GaY12 cuboctahedra that share corners with twelve equivalent Ga(1)Y12 cuboctahedra, faces with six equivalent Ga(1)Y12 cuboctahedra, and faces with eight equivalent C(1)Y6 octahedra. C(1) is bonded to six equivalent Y(1) atoms to form CY6 octahedra that share corners with six equivalent C(1)Y6 octahedra and faces with eight equivalent Ga(1)Y12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Y3GaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.854
_cell_length_b   4.854
_cell_length_c   4.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.387
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  C  C4  1  0.500  0.500  0.500  1.0
[/CIF]
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