The material described by CeZnGa3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Zn(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. Zn(1) is bonded to four equivalent Ce(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted ZnCe4Ga8 tetrahedra that share corners with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, corners with twelve equivalent Zn(1)Ce4Ga8 tetrahedra, edges with two equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, faces with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, and faces with four equivalent Zn(1)Ce4Ga8 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Ce(1), four equivalent Zn(1), and four equivalent Ga(1) atoms to form GaCe4Zn4Ga4 cuboctahedra that share corners with twelve equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, corners with four equivalent Zn(1)Ce4Ga8 tetrahedra, edges with two equivalent Zn(1)Ce4Ga8 tetrahedra, faces with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, and faces with four equivalent Zn(1)Ce4Ga8 tetrahedra. is represented by the CIF card [CIF]
data_CeZnGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.283
_cell_length_b   4.283
_cell_length_c   6.172
_cell_angle_alpha   69.700
_cell_angle_beta   69.700
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.650
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.384  0.384  0.231  1.0
  Ga  Ga3  1  0.616  0.616  0.769  1.0
  Ga  Ga4  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by CeZnGa3 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Zn(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. Zn(1) is bonded to four equivalent Ce(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted ZnCe4Ga8 tetrahedra that share corners with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, corners with twelve equivalent Zn(1)Ce4Ga8 tetrahedra, edges with two equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, faces with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, and faces with four equivalent Zn(1)Ce4Ga8 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded to four equivalent Ce(1), four equivalent Zn(1), and four equivalent Ga(1) atoms to form GaCe4Zn4Ga4 cuboctahedra that share corners with twelve equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, corners with four equivalent Zn(1)Ce4Ga8 tetrahedra, edges with two equivalent Zn(1)Ce4Ga8 tetrahedra, faces with four equivalent Ga(2)Ce4Zn4Ga4 cuboctahedra, and faces with four equivalent Zn(1)Ce4Ga8 tetrahedra. is represented by the CIF card [CIF]
data_CeZnGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.283
_cell_length_b   4.283
_cell_length_c   6.172
_cell_angle_alpha   69.700
_cell_angle_beta   69.700
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.650
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.384  0.384  0.231  1.0
  Ga  Ga3  1  0.616  0.616  0.769  1.0
  Ga  Ga4  1  0.250  0.750  0.500  1.0
[/CIF]
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