The structure described by BeGa3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form BeGa12 cuboctahedra that share corners with four equivalent Be(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Be4Ga8 cuboctahedra, edges with eight equivalent Be(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Be4Ga8 cuboctahedra, faces with four equivalent Be(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Be4Ga8 cuboctahedra, and faces with eight equivalent Ga(1)Be4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Be(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaBe4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Be4Ga8 cuboctahedra, edges with eight equivalent Be(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Be4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Be4Ga8 cuboctahedra, faces with four equivalent Be(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Be4Ga8 cuboctahedra, and faces with ten equivalent Ga(1)Be4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Be(1) and eight equivalent Ga(1) atoms to form GaBe4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Be4Ga8 cuboctahedra, corners with eight equivalent Be(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Be4Ga8 cuboctahedra, edges with sixteen equivalent Ga(1)Be4Ga8 cuboctahedra, faces with four equivalent Ga(2)Be4Ga8 cuboctahedra, faces with six equivalent Be(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Be4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_BeGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.767
_cell_length_b   4.767
_cell_length_c   4.767
_cell_angle_alpha   129.227
_cell_angle_beta   129.227
_cell_angle_gamma   74.646
_symmetry_Int_Tables_number   1
_cell_volume   63.325
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by BeGa3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form BeGa12 cuboctahedra that share corners with four equivalent Be(1)Ga12 cuboctahedra, corners with eight equivalent Ga(2)Be4Ga8 cuboctahedra, edges with eight equivalent Be(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Be4Ga8 cuboctahedra, faces with four equivalent Be(1)Ga12 cuboctahedra, faces with six equivalent Ga(2)Be4Ga8 cuboctahedra, and faces with eight equivalent Ga(1)Be4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Be(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaBe4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Be4Ga8 cuboctahedra, edges with eight equivalent Be(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Be4Ga8 cuboctahedra, edges with eight equivalent Ga(2)Be4Ga8 cuboctahedra, faces with four equivalent Be(1)Ga12 cuboctahedra, faces with four equivalent Ga(2)Be4Ga8 cuboctahedra, and faces with ten equivalent Ga(1)Be4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Be(1) and eight equivalent Ga(1) atoms to form GaBe4Ga8 cuboctahedra that share corners with four equivalent Ga(2)Be4Ga8 cuboctahedra, corners with eight equivalent Be(1)Ga12 cuboctahedra, edges with eight equivalent Ga(2)Be4Ga8 cuboctahedra, edges with sixteen equivalent Ga(1)Be4Ga8 cuboctahedra, faces with four equivalent Ga(2)Be4Ga8 cuboctahedra, faces with six equivalent Be(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Be4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_BeGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.767
_cell_length_b   4.767
_cell_length_c   4.767
_cell_angle_alpha   129.227
_cell_angle_beta   129.227
_cell_angle_gamma   74.646
_symmetry_Int_Tables_number   1
_cell_volume   63.325
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
[/CIF]
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