The structure described by Ba2VSi2O8 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Si(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Ba(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OBa3Si tetrahedra. is represented by the CIF file [CIF]
data_Ba2V(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   5.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.114
_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
  Ba  Ba0  1  0.171  0.671  0.999  1.0
  Ba  Ba1  1  0.671  0.829  0.999  1.0
  Ba  Ba2  1  0.329  0.171  0.999  1.0
  Ba  Ba3  1  0.829  0.329  0.999  1.0
  V  V4  1  0.500  0.500  0.538  1.0
  V  V5  1  0.000  0.000  0.538  1.0
  Si  Si6  1  0.370  0.870  0.520  1.0
  Si  Si7  1  0.870  0.630  0.520  1.0
  Si  Si8  1  0.130  0.370  0.520  1.0
  Si  Si9  1  0.630  0.130  0.520  1.0
  O  O10  1  0.500  0.500  0.225  1.0
  O  O11  1  0.000  0.000  0.225  1.0
  O  O12  1  0.794  0.077  0.652  1.0
  O  O13  1  0.206  0.923  0.652  1.0
  O  O14  1  0.923  0.794  0.652  1.0
  O  O15  1  0.077  0.206  0.652  1.0
  O  O16  1  0.423  0.706  0.652  1.0
  O  O17  1  0.706  0.577  0.652  1.0
  O  O18  1  0.294  0.423  0.652  1.0
  O  O19  1  0.577  0.294  0.652  1.0
  O  O20  1  0.500  0.000  0.631  1.0
  O  O21  1  0.000  0.500  0.631  1.0
  O  O22  1  0.629  0.129  0.216  1.0
  O  O23  1  0.129  0.371  0.216  1.0
  O  O24  1  0.871  0.629  0.216  1.0
  O  O25  1  0.371  0.871  0.216  1.0
[/CIF]
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The structure described by Ba2VSi2O8 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Si(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Ba(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OBa3Si tetrahedra. is represented by the CIF file [CIF]
data_Ba2V(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.516
_cell_length_c   5.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.114
_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
  Ba  Ba0  1  0.171  0.671  0.999  1.0
  Ba  Ba1  1  0.671  0.829  0.999  1.0
  Ba  Ba2  1  0.329  0.171  0.999  1.0
  Ba  Ba3  1  0.829  0.329  0.999  1.0
  V  V4  1  0.500  0.500  0.538  1.0
  V  V5  1  0.000  0.000  0.538  1.0
  Si  Si6  1  0.370  0.870  0.520  1.0
  Si  Si7  1  0.870  0.630  0.520  1.0
  Si  Si8  1  0.130  0.370  0.520  1.0
  Si  Si9  1  0.630  0.130  0.520  1.0
  O  O10  1  0.500  0.500  0.225  1.0
  O  O11  1  0.000  0.000  0.225  1.0
  O  O12  1  0.794  0.077  0.652  1.0
  O  O13  1  0.206  0.923  0.652  1.0
  O  O14  1  0.923  0.794  0.652  1.0
  O  O15  1  0.077  0.206  0.652  1.0
  O  O16  1  0.423  0.706  0.652  1.0
  O  O17  1  0.706  0.577  0.652  1.0
  O  O18  1  0.294  0.423  0.652  1.0
  O  O19  1  0.577  0.294  0.652  1.0
  O  O20  1  0.500  0.000  0.631  1.0
  O  O21  1  0.000  0.500  0.631  1.0
  O  O22  1  0.629  0.129  0.216  1.0
  O  O23  1  0.129  0.371  0.216  1.0
  O  O24  1  0.871  0.629  0.216  1.0
  O  O25  1  0.371  0.871  0.216  1.0
[/CIF]
.