The material structure described by Mo8AgGa40 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Ag(1), three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. In the second Mo site, Mo(2) is bonded in a distorted q6 geometry to one Ga(2), one Ga(4), one Ga(6), one Ga(7), two equivalent Ga(3), two equivalent Ga(5), and two equivalent Ga(8) atoms. Ag(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Ga(7) atoms. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a cuboctahedral geometry to six equivalent Ga(3) and six equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to two equivalent Mo(2) atoms. In the third Ga site, Ga(8) is bonded in a 9-coordinate geometry to two equivalent Mo(2), one Ga(3), one Ga(4), one Ga(6), two equivalent Ga(5), and two equivalent Ga(7) atoms. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Ga(1), and one Ga(8) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), one Ga(1), and one Ga(8) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2), one Ga(7), and two equivalent Ga(8) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Ga(8), and two equivalent Ga(7) atoms. In the eighth Ga site, Ga(7) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(2), one Ag(1), one Ga(5), two equivalent Ga(6), and two equivalent Ga(8) atoms. is represented by the CIF file [CIF]
data_Ga40AgMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.600
_cell_length_b   9.600
_cell_length_c   9.600
_cell_angle_alpha   94.647
_cell_angle_beta   94.647
_cell_angle_gamma   94.647
_symmetry_Int_Tables_number   1
_cell_volume   875.622
_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
  Ga  Ga0  1  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  Ga  Ga4  1  0.389  0.366  0.734  1.0
  Ga  Ga5  1  0.366  0.734  0.389  1.0
  Ga  Ga6  1  0.734  0.389  0.366  1.0
  Ga  Ga7  1  0.611  0.634  0.266  1.0
  Ga  Ga8  1  0.634  0.266  0.611  1.0
  Ga  Ga9  1  0.266  0.611  0.634  1.0
  Ga  Ga10  1  0.462  0.221  0.325  1.0
  Ga  Ga11  1  0.221  0.325  0.462  1.0
  Ga  Ga12  1  0.325  0.462  0.221  1.0
  Ga  Ga13  1  0.538  0.779  0.675  1.0
  Ga  Ga14  1  0.779  0.675  0.538  1.0
  Ga  Ga15  1  0.675  0.538  0.779  1.0
  Ga  Ga16  1  0.551  0.926  0.222  1.0
  Ga  Ga17  1  0.926  0.222  0.551  1.0
  Ga  Ga18  1  0.222  0.551  0.926  1.0
  Ga  Ga19  1  0.449  0.074  0.778  1.0
  Ga  Ga20  1  0.074  0.778  0.449  1.0
  Ga  Ga21  1  0.778  0.449  0.074  1.0
  Ga  Ga22  1  0.401  0.213  0.032  1.0
  Ga  Ga23  1  0.213  0.032  0.401  1.0
  Ga  Ga24  1  0.032  0.401  0.213  1.0
  Ga  Ga25  1  0.599  0.787  0.968  1.0
  Ga  Ga26  1  0.787  0.968  0.599  1.0
  Ga  Ga27  1  0.968  0.599  0.787  1.0
  Ga  Ga28  1  0.127  0.260  0.945  1.0
  Ga  Ga29  1  0.260  0.945  0.127  1.0
  Ga  Ga30  1  0.945  0.127  0.260  1.0
  Ga  Ga31  1  0.873  0.740  0.055  1.0
  Ga  Ga32  1  0.740  0.055  0.873  1.0
  Ga  Ga33  1  0.055  0.873  0.740  1.0
  Ga  Ga34  1  0.321  0.823  0.875  1.0
  Ga  Ga35  1  0.823  0.875  0.321  1.0
  Ga  Ga36  1  0.875  0.321  0.823  1.0
  Ga  Ga37  1  0.679  0.177  0.125  1.0
  Ga  Ga38  1  0.177  0.125  0.679  1.0
  Ga  Ga39  1  0.125  0.679  0.177  1.0
  Ag  Ag40  1  0.000  0.000  0.000  1.0
  Mo  Mo41  1  0.200  0.200  0.200  1.0
  Mo  Mo42  1  0.800  0.800  0.800  1.0
  Mo  Mo43  1  0.112  0.388  0.708  1.0
  Mo  Mo44  1  0.388  0.708  0.112  1.0
  Mo  Mo45  1  0.708  0.112  0.388  1.0
  Mo  Mo46  1  0.888  0.612  0.292  1.0
  Mo  Mo47  1  0.612  0.292  0.888  1.0
  Mo  Mo48  1  0.292  0.888  0.612  1.0
[/CIF]
.
The material structure described by Mo8AgGa40 crystallizes in the trigonal R-3 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Ag(1), three equivalent Ga(4), three equivalent Ga(6), and three equivalent Ga(7) atoms. In the second Mo site, Mo(2) is bonded in a distorted q6 geometry to one Ga(2), one Ga(4), one Ga(6), one Ga(7), two equivalent Ga(3), two equivalent Ga(5), and two equivalent Ga(8) atoms. Ag(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Ga(7) atoms. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a cuboctahedral geometry to six equivalent Ga(3) and six equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a distorted linear geometry to two equivalent Mo(2) atoms. In the third Ga site, Ga(8) is bonded in a 9-coordinate geometry to two equivalent Mo(2), one Ga(3), one Ga(4), one Ga(6), two equivalent Ga(5), and two equivalent Ga(7) atoms. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2), one Ga(1), and one Ga(8) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), one Ga(1), and one Ga(8) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2), one Ga(7), and two equivalent Ga(8) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Ga(8), and two equivalent Ga(7) atoms. In the eighth Ga site, Ga(7) is bonded in a 8-coordinate geometry to one Mo(1), one Mo(2), one Ag(1), one Ga(5), two equivalent Ga(6), and two equivalent Ga(8) atoms. is represented by the CIF file [CIF]
data_Ga40AgMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.600
_cell_length_b   9.600
_cell_length_c   9.600
_cell_angle_alpha   94.647
_cell_angle_beta   94.647
_cell_angle_gamma   94.647
_symmetry_Int_Tables_number   1
_cell_volume   875.622
_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
  Ga  Ga0  1  0.500  0.500  0.500  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  Ga  Ga4  1  0.389  0.366  0.734  1.0
  Ga  Ga5  1  0.366  0.734  0.389  1.0
  Ga  Ga6  1  0.734  0.389  0.366  1.0
  Ga  Ga7  1  0.611  0.634  0.266  1.0
  Ga  Ga8  1  0.634  0.266  0.611  1.0
  Ga  Ga9  1  0.266  0.611  0.634  1.0
  Ga  Ga10  1  0.462  0.221  0.325  1.0
  Ga  Ga11  1  0.221  0.325  0.462  1.0
  Ga  Ga12  1  0.325  0.462  0.221  1.0
  Ga  Ga13  1  0.538  0.779  0.675  1.0
  Ga  Ga14  1  0.779  0.675  0.538  1.0
  Ga  Ga15  1  0.675  0.538  0.779  1.0
  Ga  Ga16  1  0.551  0.926  0.222  1.0
  Ga  Ga17  1  0.926  0.222  0.551  1.0
  Ga  Ga18  1  0.222  0.551  0.926  1.0
  Ga  Ga19  1  0.449  0.074  0.778  1.0
  Ga  Ga20  1  0.074  0.778  0.449  1.0
  Ga  Ga21  1  0.778  0.449  0.074  1.0
  Ga  Ga22  1  0.401  0.213  0.032  1.0
  Ga  Ga23  1  0.213  0.032  0.401  1.0
  Ga  Ga24  1  0.032  0.401  0.213  1.0
  Ga  Ga25  1  0.599  0.787  0.968  1.0
  Ga  Ga26  1  0.787  0.968  0.599  1.0
  Ga  Ga27  1  0.968  0.599  0.787  1.0
  Ga  Ga28  1  0.127  0.260  0.945  1.0
  Ga  Ga29  1  0.260  0.945  0.127  1.0
  Ga  Ga30  1  0.945  0.127  0.260  1.0
  Ga  Ga31  1  0.873  0.740  0.055  1.0
  Ga  Ga32  1  0.740  0.055  0.873  1.0
  Ga  Ga33  1  0.055  0.873  0.740  1.0
  Ga  Ga34  1  0.321  0.823  0.875  1.0
  Ga  Ga35  1  0.823  0.875  0.321  1.0
  Ga  Ga36  1  0.875  0.321  0.823  1.0
  Ga  Ga37  1  0.679  0.177  0.125  1.0
  Ga  Ga38  1  0.177  0.125  0.679  1.0
  Ga  Ga39  1  0.125  0.679  0.177  1.0
  Ag  Ag40  1  0.000  0.000  0.000  1.0
  Mo  Mo41  1  0.200  0.200  0.200  1.0
  Mo  Mo42  1  0.800  0.800  0.800  1.0
  Mo  Mo43  1  0.112  0.388  0.708  1.0
  Mo  Mo44  1  0.388  0.708  0.112  1.0
  Mo  Mo45  1  0.708  0.112  0.388  1.0
  Mo  Mo46  1  0.888  0.612  0.292  1.0
  Mo  Mo47  1  0.612  0.292  0.888  1.0
  Mo  Mo48  1  0.292  0.888  0.612  1.0
[/CIF]
.