The material described by U4MoSi3 crystallizes in the tetragonal I4/mcm space group. U(1) is bonded in a 7-coordinate geometry to one U(1), two equivalent Si(2), and four equivalent Si(1) atoms. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent U(1) and two equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent U(1) and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_U4Si3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   7.990
_cell_length_c   7.990
_cell_angle_alpha   83.668
_cell_angle_beta   70.604
_cell_angle_gamma   70.604
_symmetry_Int_Tables_number   1
_cell_volume   301.378
_cell_formula_units_Z   2
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
  U  U0  1  0.097  0.134  0.672  1.0
  U  U1  1  0.903  0.866  0.328  1.0
  U  U2  1  0.769  0.328  0.134  1.0
  U  U3  1  0.403  0.328  0.866  1.0
  U  U4  1  0.231  0.672  0.866  1.0
  U  U5  1  0.597  0.672  0.134  1.0
  U  U6  1  0.731  0.866  0.672  1.0
  U  U7  1  0.269  0.134  0.328  1.0
  Si  Si8  1  0.147  0.500  0.206  1.0
  Si  Si9  1  0.853  0.500  0.794  1.0
  Si  Si10  1  0.353  0.794  0.500  1.0
  Si  Si11  1  0.647  0.206  0.500  1.0
  Si  Si12  1  0.250  0.000  0.000  1.0
  Si  Si13  1  0.750  0.000  0.000  1.0
  Mo  Mo14  1  0.250  0.500  0.500  1.0
  Mo  Mo15  1  0.750  0.500  0.500  1.0
[/CIF]
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The material described by U4MoSi3 crystallizes in the tetragonal I4/mcm space group. U(1) is bonded in a 7-coordinate geometry to one U(1), two equivalent Si(2), and four equivalent Si(1) atoms. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent U(1) and two equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent U(1) and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_U4Si3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   7.990
_cell_length_c   7.990
_cell_angle_alpha   83.668
_cell_angle_beta   70.604
_cell_angle_gamma   70.604
_symmetry_Int_Tables_number   1
_cell_volume   301.378
_cell_formula_units_Z   2
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
  U  U0  1  0.097  0.134  0.672  1.0
  U  U1  1  0.903  0.866  0.328  1.0
  U  U2  1  0.769  0.328  0.134  1.0
  U  U3  1  0.403  0.328  0.866  1.0
  U  U4  1  0.231  0.672  0.866  1.0
  U  U5  1  0.597  0.672  0.134  1.0
  U  U6  1  0.731  0.866  0.672  1.0
  U  U7  1  0.269  0.134  0.328  1.0
  Si  Si8  1  0.147  0.500  0.206  1.0
  Si  Si9  1  0.853  0.500  0.794  1.0
  Si  Si10  1  0.353  0.794  0.500  1.0
  Si  Si11  1  0.647  0.206  0.500  1.0
  Si  Si12  1  0.250  0.000  0.000  1.0
  Si  Si13  1  0.750  0.000  0.000  1.0
  Mo  Mo14  1  0.250  0.500  0.500  1.0
  Mo  Mo15  1  0.750  0.500  0.500  1.0
[/CIF]
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