The structure described by BaV2TeO8 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(8) atoms. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Te(1)O5 square pyramids. Te(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(8) atom to form distorted TeO5 square pyramids that share corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one Te(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one V(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Te(1) atom. In the seventh O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the eighth O site, O(7) is bonded in a single-bond geometry to two equivalent Ba(1) and one V(2) atom. is represented by the CIF file [CIF]
data_BaV2TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   9.897
_cell_length_c   14.645
_cell_angle_alpha   67.576
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.040
_cell_formula_units_Z   4
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  0.313  0.755  0.837  1.0
  Ba  Ba1  1  0.687  0.245  0.163  1.0
  Ba  Ba2  1  0.187  0.755  0.337  1.0
  Ba  Ba3  1  0.813  0.245  0.663  1.0
  V  V4  1  0.841  0.005  0.913  1.0
  V  V5  1  0.152  0.519  0.137  1.0
  V  V6  1  0.341  0.995  0.587  1.0
  V  V7  1  0.159  0.995  0.087  1.0
  V  V8  1  0.659  0.005  0.413  1.0
  V  V9  1  0.848  0.481  0.863  1.0
  V  V10  1  0.348  0.519  0.637  1.0
  V  V11  1  0.652  0.481  0.363  1.0
  Te  Te12  1  0.163  0.284  0.409  1.0
  Te  Te13  1  0.663  0.716  0.091  1.0
  Te  Te14  1  0.337  0.284  0.909  1.0
  Te  Te15  1  0.837  0.716  0.591  1.0
  O  O16  1  0.115  0.157  0.545  1.0
  O  O17  1  0.636  0.137  0.861  1.0
  O  O18  1  0.900  0.395  0.441  1.0
  O  O19  1  0.009  0.013  0.180  1.0
  O  O20  1  0.881  0.576  0.065  1.0
  O  O21  1  0.866  0.434  0.764  1.0
  O  O22  1  0.364  0.863  0.139  1.0
  O  O23  1  0.381  0.424  0.435  1.0
  O  O24  1  0.173  0.336  0.176  1.0
  O  O25  1  0.366  0.566  0.736  1.0
  O  O26  1  0.491  0.013  0.680  1.0
  O  O27  1  0.619  0.576  0.565  1.0
  O  O28  1  0.400  0.605  0.059  1.0
  O  O29  1  0.385  0.157  0.045  1.0
  O  O30  1  0.885  0.843  0.455  1.0
  O  O31  1  0.673  0.664  0.324  1.0
  O  O32  1  0.327  0.336  0.676  1.0
  O  O33  1  0.600  0.395  0.941  1.0
  O  O34  1  0.634  0.434  0.264  1.0
  O  O35  1  0.450  0.124  0.453  1.0
  O  O36  1  0.050  0.124  0.953  1.0
  O  O37  1  0.550  0.876  0.547  1.0
  O  O38  1  0.136  0.863  0.639  1.0
  O  O39  1  0.509  0.987  0.320  1.0
  O  O40  1  0.827  0.664  0.824  1.0
  O  O41  1  0.950  0.876  0.047  1.0
  O  O42  1  0.119  0.424  0.935  1.0
  O  O43  1  0.134  0.566  0.236  1.0
  O  O44  1  0.991  0.987  0.820  1.0
  O  O45  1  0.100  0.605  0.559  1.0
  O  O46  1  0.615  0.843  0.955  1.0
  O  O47  1  0.864  0.137  0.361  1.0
[/CIF]
.
The structure described by BaV2TeO8 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(8) atoms. In the second V site, V(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Te(1)O5 square pyramids. Te(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(8) atom to form distorted TeO5 square pyramids that share corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one Te(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one V(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Te(1) atom. In the seventh O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one V(2) atom. In the eighth O site, O(7) is bonded in a single-bond geometry to two equivalent Ba(1) and one V(2) atom. is represented by the CIF file [CIF]
data_BaV2TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   9.897
_cell_length_c   14.645
_cell_angle_alpha   67.576
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.040
_cell_formula_units_Z   4
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  0.313  0.755  0.837  1.0
  Ba  Ba1  1  0.687  0.245  0.163  1.0
  Ba  Ba2  1  0.187  0.755  0.337  1.0
  Ba  Ba3  1  0.813  0.245  0.663  1.0
  V  V4  1  0.841  0.005  0.913  1.0
  V  V5  1  0.152  0.519  0.137  1.0
  V  V6  1  0.341  0.995  0.587  1.0
  V  V7  1  0.159  0.995  0.087  1.0
  V  V8  1  0.659  0.005  0.413  1.0
  V  V9  1  0.848  0.481  0.863  1.0
  V  V10  1  0.348  0.519  0.637  1.0
  V  V11  1  0.652  0.481  0.363  1.0
  Te  Te12  1  0.163  0.284  0.409  1.0
  Te  Te13  1  0.663  0.716  0.091  1.0
  Te  Te14  1  0.337  0.284  0.909  1.0
  Te  Te15  1  0.837  0.716  0.591  1.0
  O  O16  1  0.115  0.157  0.545  1.0
  O  O17  1  0.636  0.137  0.861  1.0
  O  O18  1  0.900  0.395  0.441  1.0
  O  O19  1  0.009  0.013  0.180  1.0
  O  O20  1  0.881  0.576  0.065  1.0
  O  O21  1  0.866  0.434  0.764  1.0
  O  O22  1  0.364  0.863  0.139  1.0
  O  O23  1  0.381  0.424  0.435  1.0
  O  O24  1  0.173  0.336  0.176  1.0
  O  O25  1  0.366  0.566  0.736  1.0
  O  O26  1  0.491  0.013  0.680  1.0
  O  O27  1  0.619  0.576  0.565  1.0
  O  O28  1  0.400  0.605  0.059  1.0
  O  O29  1  0.385  0.157  0.045  1.0
  O  O30  1  0.885  0.843  0.455  1.0
  O  O31  1  0.673  0.664  0.324  1.0
  O  O32  1  0.327  0.336  0.676  1.0
  O  O33  1  0.600  0.395  0.941  1.0
  O  O34  1  0.634  0.434  0.264  1.0
  O  O35  1  0.450  0.124  0.453  1.0
  O  O36  1  0.050  0.124  0.953  1.0
  O  O37  1  0.550  0.876  0.547  1.0
  O  O38  1  0.136  0.863  0.639  1.0
  O  O39  1  0.509  0.987  0.320  1.0
  O  O40  1  0.827  0.664  0.824  1.0
  O  O41  1  0.950  0.876  0.047  1.0
  O  O42  1  0.119  0.424  0.935  1.0
  O  O43  1  0.134  0.566  0.236  1.0
  O  O44  1  0.991  0.987  0.820  1.0
  O  O45  1  0.100  0.605  0.559  1.0
  O  O46  1  0.615  0.843  0.955  1.0
  O  O47  1  0.864  0.137  0.361  1.0
[/CIF]
.