The material described by Mo4VSi3 crystallizes in the tetragonal I4/mcm space group. V(1) is bonded in a 14-coordinate geometry to two equivalent V(1), eight equivalent Mo(1), and four equivalent Si(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent V(1) and eight equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_VSi3Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.210
_cell_length_b   7.210
_cell_length_c   7.210
_cell_angle_alpha   96.410
_cell_angle_beta   96.410
_cell_angle_gamma   140.961
_symmetry_Int_Tables_number   1
_cell_volume   222.522
_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
  V  V0  1  0.250  0.750  0.500  1.0
  V  V1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.250  0.250  0.000  1.0
  Si  Si3  1  0.750  0.750  0.000  1.0
  Si  Si4  1  0.163  0.663  0.825  1.0
  Si  Si5  1  0.837  0.337  0.175  1.0
  Si  Si6  1  0.337  0.163  0.500  1.0
  Si  Si7  1  0.663  0.837  0.500  1.0
  Mo  Mo8  1  0.078  0.226  0.304  1.0
  Mo  Mo9  1  0.922  0.774  0.696  1.0
  Mo  Mo10  1  0.774  0.078  0.852  1.0
  Mo  Mo11  1  0.422  0.726  0.148  1.0
  Mo  Mo12  1  0.226  0.922  0.148  1.0
  Mo  Mo13  1  0.578  0.274  0.852  1.0
  Mo  Mo14  1  0.726  0.578  0.304  1.0
  Mo  Mo15  1  0.274  0.422  0.696  1.0
[/CIF]
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The material described by Mo4VSi3 crystallizes in the tetragonal I4/mcm space group. V(1) is bonded in a 14-coordinate geometry to two equivalent V(1), eight equivalent Mo(1), and four equivalent Si(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent V(1) and eight equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_VSi3Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.210
_cell_length_b   7.210
_cell_length_c   7.210
_cell_angle_alpha   96.410
_cell_angle_beta   96.410
_cell_angle_gamma   140.961
_symmetry_Int_Tables_number   1
_cell_volume   222.522
_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
  V  V0  1  0.250  0.750  0.500  1.0
  V  V1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.250  0.250  0.000  1.0
  Si  Si3  1  0.750  0.750  0.000  1.0
  Si  Si4  1  0.163  0.663  0.825  1.0
  Si  Si5  1  0.837  0.337  0.175  1.0
  Si  Si6  1  0.337  0.163  0.500  1.0
  Si  Si7  1  0.663  0.837  0.500  1.0
  Mo  Mo8  1  0.078  0.226  0.304  1.0
  Mo  Mo9  1  0.922  0.774  0.696  1.0
  Mo  Mo10  1  0.774  0.078  0.852  1.0
  Mo  Mo11  1  0.422  0.726  0.148  1.0
  Mo  Mo12  1  0.226  0.922  0.148  1.0
  Mo  Mo13  1  0.578  0.274  0.852  1.0
  Mo  Mo14  1  0.726  0.578  0.304  1.0
  Mo  Mo15  1  0.274  0.422  0.696  1.0
[/CIF]
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