The compound described by TiV4Si3 crystallizes in the tetragonal I4/mcm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent Si(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent V(1) and two equivalent Si(2) atoms. In the second Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1) and eight equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiV4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.716
_cell_length_b   7.146
_cell_length_c   7.146
_cell_angle_alpha   83.749
_cell_angle_beta   70.732
_cell_angle_gamma   70.732
_symmetry_Int_Tables_number   1
_cell_volume   214.614
_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
  Ti  Ti0  1  0.750  0.500  0.500  1.0
  Ti  Ti1  1  0.250  0.500  0.500  1.0
  V  V2  1  0.220  0.708  0.852  1.0
  V  V3  1  0.780  0.292  0.148  1.0
  V  V4  1  0.280  0.148  0.292  1.0
  V  V5  1  0.720  0.852  0.708  1.0
  V  V6  1  0.072  0.148  0.708  1.0
  V  V7  1  0.928  0.852  0.292  1.0
  V  V8  1  0.572  0.708  0.148  1.0
  V  V9  1  0.428  0.292  0.852  1.0
  Si  Si10  1  0.670  0.159  0.500  1.0
  Si  Si11  1  0.330  0.841  0.500  1.0
  Si  Si12  1  0.830  0.500  0.841  1.0
  Si  Si13  1  0.170  0.500  0.159  1.0
  Si  Si14  1  0.250  0.000  0.000  1.0
  Si  Si15  1  0.750  0.000  0.000  1.0
[/CIF]
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The compound described by TiV4Si3 crystallizes in the tetragonal I4/mcm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent Si(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent V(1) and two equivalent Si(2) atoms. In the second Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Ti(1) and eight equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiV4Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.716
_cell_length_b   7.146
_cell_length_c   7.146
_cell_angle_alpha   83.749
_cell_angle_beta   70.732
_cell_angle_gamma   70.732
_symmetry_Int_Tables_number   1
_cell_volume   214.614
_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
  Ti  Ti0  1  0.750  0.500  0.500  1.0
  Ti  Ti1  1  0.250  0.500  0.500  1.0
  V  V2  1  0.220  0.708  0.852  1.0
  V  V3  1  0.780  0.292  0.148  1.0
  V  V4  1  0.280  0.148  0.292  1.0
  V  V5  1  0.720  0.852  0.708  1.0
  V  V6  1  0.072  0.148  0.708  1.0
  V  V7  1  0.928  0.852  0.292  1.0
  V  V8  1  0.572  0.708  0.148  1.0
  V  V9  1  0.428  0.292  0.852  1.0
  Si  Si10  1  0.670  0.159  0.500  1.0
  Si  Si11  1  0.330  0.841  0.500  1.0
  Si  Si12  1  0.830  0.500  0.841  1.0
  Si  Si13  1  0.170  0.500  0.159  1.0
  Si  Si14  1  0.250  0.000  0.000  1.0
  Si  Si15  1  0.750  0.000  0.000  1.0
[/CIF]
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