The material described by Ba2V2Te2O11 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(7), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(7), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(3), one O(8), and two equivalent O(7) atoms. Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one V(2), and two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(2) and two equivalent Te(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Te(1) atoms. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one V(1), and one Te(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one V(1) atom. In the seventh O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one V(1) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2V2Te2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   7.697
_cell_length_c   9.710
_cell_angle_alpha   86.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.768
_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  0.750  0.366  0.572  1.0
  Ba  Ba1  1  0.250  0.634  0.428  1.0
  Ba  Ba2  1  0.750  0.631  0.142  1.0
  Ba  Ba3  1  0.250  0.369  0.858  1.0
  V  V4  1  0.250  0.816  0.012  1.0
  V  V5  1  0.750  0.184  0.988  1.0
  V  V6  1  0.750  0.890  0.423  1.0
  V  V7  1  0.250  0.110  0.577  1.0
  Te  Te8  1  0.536  0.787  0.760  1.0
  Te  Te9  1  0.036  0.213  0.240  1.0
  Te  Te10  1  0.464  0.213  0.240  1.0
  Te  Te11  1  0.964  0.787  0.760  1.0
  O  O12  1  0.750  0.693  0.852  1.0
  O  O13  1  0.250  0.307  0.148  1.0
  O  O14  1  0.480  0.581  0.679  1.0
  O  O15  1  0.980  0.419  0.321  1.0
  O  O16  1  0.520  0.419  0.321  1.0
  O  O17  1  0.020  0.581  0.679  1.0
  O  O18  1  0.750  0.838  0.610  1.0
  O  O19  1  0.250  0.162  0.390  1.0
  O  O20  1  0.433  0.696  0.948  1.0
  O  O21  1  0.933  0.304  0.052  1.0
  O  O22  1  0.567  0.304  0.052  1.0
  O  O23  1  0.067  0.696  0.948  1.0
  O  O24  1  0.250  0.017  0.936  1.0
  O  O25  1  0.750  0.983  0.064  1.0
  O  O26  1  0.250  0.820  0.185  1.0
  O  O27  1  0.750  0.180  0.815  1.0
  O  O28  1  0.575  0.796  0.356  1.0
  O  O29  1  0.075  0.204  0.644  1.0
  O  O30  1  0.425  0.204  0.644  1.0
  O  O31  1  0.925  0.796  0.356  1.0
  O  O32  1  0.750  0.116  0.380  1.0
  O  O33  1  0.250  0.884  0.620  1.0
[/CIF]
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The material described by Ba2V2Te2O11 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(7), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(7), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(3), one O(8), and two equivalent O(7) atoms. Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one V(2), and two equivalent Te(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(2) and two equivalent Te(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Te(1) atoms. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(2), one V(1), and one Te(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one V(1) atom. In the seventh O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one V(1) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2V2Te2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   7.697
_cell_length_c   9.710
_cell_angle_alpha   86.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.768
_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  0.750  0.366  0.572  1.0
  Ba  Ba1  1  0.250  0.634  0.428  1.0
  Ba  Ba2  1  0.750  0.631  0.142  1.0
  Ba  Ba3  1  0.250  0.369  0.858  1.0
  V  V4  1  0.250  0.816  0.012  1.0
  V  V5  1  0.750  0.184  0.988  1.0
  V  V6  1  0.750  0.890  0.423  1.0
  V  V7  1  0.250  0.110  0.577  1.0
  Te  Te8  1  0.536  0.787  0.760  1.0
  Te  Te9  1  0.036  0.213  0.240  1.0
  Te  Te10  1  0.464  0.213  0.240  1.0
  Te  Te11  1  0.964  0.787  0.760  1.0
  O  O12  1  0.750  0.693  0.852  1.0
  O  O13  1  0.250  0.307  0.148  1.0
  O  O14  1  0.480  0.581  0.679  1.0
  O  O15  1  0.980  0.419  0.321  1.0
  O  O16  1  0.520  0.419  0.321  1.0
  O  O17  1  0.020  0.581  0.679  1.0
  O  O18  1  0.750  0.838  0.610  1.0
  O  O19  1  0.250  0.162  0.390  1.0
  O  O20  1  0.433  0.696  0.948  1.0
  O  O21  1  0.933  0.304  0.052  1.0
  O  O22  1  0.567  0.304  0.052  1.0
  O  O23  1  0.067  0.696  0.948  1.0
  O  O24  1  0.250  0.017  0.936  1.0
  O  O25  1  0.750  0.983  0.064  1.0
  O  O26  1  0.250  0.820  0.185  1.0
  O  O27  1  0.750  0.180  0.815  1.0
  O  O28  1  0.575  0.796  0.356  1.0
  O  O29  1  0.075  0.204  0.644  1.0
  O  O30  1  0.425  0.204  0.644  1.0
  O  O31  1  0.925  0.796  0.356  1.0
  O  O32  1  0.750  0.116  0.380  1.0
  O  O33  1  0.250  0.884  0.620  1.0
[/CIF]
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