The material structure described by Sc3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. Sc(1) is bonded in a 5-coordinate geometry to four equivalent V(1) and five equivalent Si(1) atoms. V(1) is bonded in a 14-coordinate geometry to six equivalent Sc(1), two equivalent V(1), and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Sc(1) and four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Sc3V2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.650
_cell_length_b   7.650
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   262.296
_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
  Sc  Sc0  1  0.246  0.000  0.750  1.0
  Sc  Sc1  1  0.754  0.000  0.250  1.0
  Sc  Sc2  1  0.000  0.246  0.750  1.0
  Sc  Sc3  1  0.000  0.754  0.250  1.0
  Sc  Sc4  1  0.754  0.754  0.750  1.0
  Sc  Sc5  1  0.246  0.246  0.250  1.0
  V  V6  1  0.333  0.667  0.500  1.0
  V  V7  1  0.667  0.333  0.500  1.0
  V  V8  1  0.667  0.333  0.000  1.0
  V  V9  1  0.333  0.667  0.000  1.0
  Si  Si10  1  0.595  0.000  0.750  1.0
  Si  Si11  1  0.405  0.000  0.250  1.0
  Si  Si12  1  0.000  0.595  0.750  1.0
  Si  Si13  1  0.000  0.405  0.250  1.0
  Si  Si14  1  0.405  0.405  0.750  1.0
  Si  Si15  1  0.595  0.595  0.250  1.0
[/CIF]
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The material structure described by Sc3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. Sc(1) is bonded in a 5-coordinate geometry to four equivalent V(1) and five equivalent Si(1) atoms. V(1) is bonded in a 14-coordinate geometry to six equivalent Sc(1), two equivalent V(1), and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Sc(1) and four equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Sc3V2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.650
_cell_length_b   7.650
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   262.296
_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
  Sc  Sc0  1  0.246  0.000  0.750  1.0
  Sc  Sc1  1  0.754  0.000  0.250  1.0
  Sc  Sc2  1  0.000  0.246  0.750  1.0
  Sc  Sc3  1  0.000  0.754  0.250  1.0
  Sc  Sc4  1  0.754  0.754  0.750  1.0
  Sc  Sc5  1  0.246  0.246  0.250  1.0
  V  V6  1  0.333  0.667  0.500  1.0
  V  V7  1  0.667  0.333  0.500  1.0
  V  V8  1  0.667  0.333  0.000  1.0
  V  V9  1  0.333  0.667  0.000  1.0
  Si  Si10  1  0.595  0.000  0.750  1.0
  Si  Si11  1  0.405  0.000  0.250  1.0
  Si  Si12  1  0.000  0.595  0.750  1.0
  Si  Si13  1  0.000  0.405  0.250  1.0
  Si  Si14  1  0.405  0.405  0.750  1.0
  Si  Si15  1  0.595  0.595  0.250  1.0
[/CIF]
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