The material described by Mo8Ga40C 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 9-coordinate geometry to 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 10-coordinate 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. 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 2-coordinate geometry to two equivalent Mo(2) atoms. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and one Ga(1) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), and one Ga(1) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom. In the eighth Ga site, Ga(7) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(2), and one C(1) atom. C(1) is bonded in an octahedral geometry to six equivalent Ga(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga40Mo8C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.557
_cell_length_b   9.557
_cell_length_c   9.557
_cell_angle_alpha   94.104
_cell_angle_beta   94.104
_cell_angle_gamma   94.104
_symmetry_Int_Tables_number   1
_cell_volume   865.823
_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  0.000  0.500  0.500  1.0
  Ga  Ga2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Ga  Ga4  1  0.264  0.634  0.610  1.0
  Ga  Ga5  1  0.610  0.264  0.634  1.0
  Ga  Ga6  1  0.634  0.610  0.264  1.0
  Ga  Ga7  1  0.736  0.366  0.390  1.0
  Ga  Ga8  1  0.390  0.736  0.366  1.0
  Ga  Ga9  1  0.366  0.390  0.736  1.0
  Ga  Ga10  1  0.673  0.779  0.531  1.0
  Ga  Ga11  1  0.531  0.673  0.779  1.0
  Ga  Ga12  1  0.779  0.531  0.673  1.0
  Ga  Ga13  1  0.327  0.221  0.469  1.0
  Ga  Ga14  1  0.469  0.327  0.221  1.0
  Ga  Ga15  1  0.221  0.469  0.327  1.0
  Ga  Ga16  1  0.777  0.075  0.451  1.0
  Ga  Ga17  1  0.451  0.777  0.075  1.0
  Ga  Ga18  1  0.075  0.451  0.777  1.0
  Ga  Ga19  1  0.223  0.925  0.549  1.0
  Ga  Ga20  1  0.549  0.223  0.925  1.0
  Ga  Ga21  1  0.925  0.549  0.223  1.0
  Ga  Ga22  1  0.968  0.785  0.600  1.0
  Ga  Ga23  1  0.600  0.968  0.785  1.0
  Ga  Ga24  1  0.785  0.600  0.968  1.0
  Ga  Ga25  1  0.032  0.215  0.400  1.0
  Ga  Ga26  1  0.400  0.032  0.215  1.0
  Ga  Ga27  1  0.215  0.400  0.032  1.0
  Ga  Ga28  1  0.050  0.774  0.890  1.0
  Ga  Ga29  1  0.890  0.050  0.774  1.0
  Ga  Ga30  1  0.774  0.890  0.050  1.0
  Ga  Ga31  1  0.950  0.226  0.110  1.0
  Ga  Ga32  1  0.110  0.950  0.226  1.0
  Ga  Ga33  1  0.226  0.110  0.950  1.0
  Ga  Ga34  1  0.126  0.177  0.681  1.0
  Ga  Ga35  1  0.681  0.126  0.177  1.0
  Ga  Ga36  1  0.177  0.681  0.126  1.0
  Ga  Ga37  1  0.874  0.823  0.319  1.0
  Ga  Ga38  1  0.319  0.874  0.823  1.0
  Ga  Ga39  1  0.823  0.319  0.874  1.0
  Mo  Mo40  1  0.789  0.789  0.789  1.0
  Mo  Mo41  1  0.211  0.211  0.211  1.0
  Mo  Mo42  1  0.284  0.615  0.892  1.0
  Mo  Mo43  1  0.892  0.284  0.615  1.0
  Mo  Mo44  1  0.615  0.892  0.284  1.0
  Mo  Mo45  1  0.716  0.385  0.108  1.0
  Mo  Mo46  1  0.108  0.716  0.385  1.0
  Mo  Mo47  1  0.385  0.108  0.716  1.0
  C  C48  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Mo8Ga40C 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 9-coordinate geometry to 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 10-coordinate 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. 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 2-coordinate geometry to two equivalent Mo(2) atoms. In the fourth Ga site, Ga(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(2) and one Ga(1) atom. In the fifth Ga site, Ga(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Mo(2), and one Ga(1) atom. In the sixth Ga site, Ga(5) is bonded in a 2-coordinate geometry to two equivalent Mo(2) atoms. In the seventh Ga site, Ga(6) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom. In the eighth Ga site, Ga(7) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(2), and one C(1) atom. C(1) is bonded in an octahedral geometry to six equivalent Ga(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga40Mo8C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.557
_cell_length_b   9.557
_cell_length_c   9.557
_cell_angle_alpha   94.104
_cell_angle_beta   94.104
_cell_angle_gamma   94.104
_symmetry_Int_Tables_number   1
_cell_volume   865.823
_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  0.000  0.500  0.500  1.0
  Ga  Ga2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Ga  Ga4  1  0.264  0.634  0.610  1.0
  Ga  Ga5  1  0.610  0.264  0.634  1.0
  Ga  Ga6  1  0.634  0.610  0.264  1.0
  Ga  Ga7  1  0.736  0.366  0.390  1.0
  Ga  Ga8  1  0.390  0.736  0.366  1.0
  Ga  Ga9  1  0.366  0.390  0.736  1.0
  Ga  Ga10  1  0.673  0.779  0.531  1.0
  Ga  Ga11  1  0.531  0.673  0.779  1.0
  Ga  Ga12  1  0.779  0.531  0.673  1.0
  Ga  Ga13  1  0.327  0.221  0.469  1.0
  Ga  Ga14  1  0.469  0.327  0.221  1.0
  Ga  Ga15  1  0.221  0.469  0.327  1.0
  Ga  Ga16  1  0.777  0.075  0.451  1.0
  Ga  Ga17  1  0.451  0.777  0.075  1.0
  Ga  Ga18  1  0.075  0.451  0.777  1.0
  Ga  Ga19  1  0.223  0.925  0.549  1.0
  Ga  Ga20  1  0.549  0.223  0.925  1.0
  Ga  Ga21  1  0.925  0.549  0.223  1.0
  Ga  Ga22  1  0.968  0.785  0.600  1.0
  Ga  Ga23  1  0.600  0.968  0.785  1.0
  Ga  Ga24  1  0.785  0.600  0.968  1.0
  Ga  Ga25  1  0.032  0.215  0.400  1.0
  Ga  Ga26  1  0.400  0.032  0.215  1.0
  Ga  Ga27  1  0.215  0.400  0.032  1.0
  Ga  Ga28  1  0.050  0.774  0.890  1.0
  Ga  Ga29  1  0.890  0.050  0.774  1.0
  Ga  Ga30  1  0.774  0.890  0.050  1.0
  Ga  Ga31  1  0.950  0.226  0.110  1.0
  Ga  Ga32  1  0.110  0.950  0.226  1.0
  Ga  Ga33  1  0.226  0.110  0.950  1.0
  Ga  Ga34  1  0.126  0.177  0.681  1.0
  Ga  Ga35  1  0.681  0.126  0.177  1.0
  Ga  Ga36  1  0.177  0.681  0.126  1.0
  Ga  Ga37  1  0.874  0.823  0.319  1.0
  Ga  Ga38  1  0.319  0.874  0.823  1.0
  Ga  Ga39  1  0.823  0.319  0.874  1.0
  Mo  Mo40  1  0.789  0.789  0.789  1.0
  Mo  Mo41  1  0.211  0.211  0.211  1.0
  Mo  Mo42  1  0.284  0.615  0.892  1.0
  Mo  Mo43  1  0.892  0.284  0.615  1.0
  Mo  Mo44  1  0.615  0.892  0.284  1.0
  Mo  Mo45  1  0.716  0.385  0.108  1.0
  Mo  Mo46  1  0.108  0.716  0.385  1.0
  Mo  Mo47  1  0.385  0.108  0.716  1.0
  C  C48  1  0.000  0.000  0.000  1.0
[/CIF]
.