The structure described by BaSrV4(CuO4)4 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent V(2)O4 tetrahedra and edges with four equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one V(2), and two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), one V(1), and one Cu(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrV4(CuO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.996
_cell_length_b   9.996
_cell_length_c   9.996
_cell_angle_alpha   99.606
_cell_angle_beta   99.606
_cell_angle_gamma   131.780
_symmetry_Int_Tables_number   1
_cell_volume   679.827
_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  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.250  0.750  0.500  1.0
  V  V4  1  0.125  0.319  0.694  1.0
  V  V5  1  0.625  0.431  0.306  1.0
  V  V6  1  0.681  0.375  0.806  1.0
  V  V7  1  0.569  0.875  0.194  1.0
  V  V8  1  0.125  0.780  0.155  1.0
  V  V9  1  0.625  0.970  0.845  1.0
  V  V10  1  0.220  0.375  0.345  1.0
  V  V11  1  0.030  0.875  0.655  1.0
  Cu  Cu12  1  0.919  0.903  0.333  1.0
  Cu  Cu13  1  0.680  0.847  0.516  1.0
  Cu  Cu14  1  0.570  0.586  0.667  1.0
  Cu  Cu15  1  0.331  0.164  0.484  1.0
  Cu  Cu16  1  0.097  0.430  0.016  1.0
  Cu  Cu17  1  0.836  0.320  0.167  1.0
  Cu  Cu18  1  0.414  0.081  0.984  1.0
  Cu  Cu19  1  0.153  0.669  0.833  1.0
  O  O20  1  0.820  0.457  0.320  1.0
  O  O21  1  0.112  0.293  0.862  1.0
  O  O22  1  0.138  0.500  0.680  1.0
  O  O23  1  0.430  0.250  0.138  1.0
  O  O24  1  0.543  0.862  0.362  1.0
  O  O25  1  0.750  0.888  0.180  1.0
  O  O26  1  0.500  0.180  0.638  1.0
  O  O27  1  0.707  0.570  0.820  1.0
  O  O28  1  0.630  0.806  0.860  1.0
  O  O29  1  0.304  0.944  0.324  1.0
  O  O30  1  0.946  0.770  0.140  1.0
  O  O31  1  0.620  0.980  0.676  1.0
  O  O32  1  0.194  0.054  0.824  1.0
  O  O33  1  0.020  0.696  0.640  1.0
  O  O34  1  0.230  0.370  0.176  1.0
  O  O35  1  0.056  0.380  0.360  1.0
  O  O36  1  0.623  0.307  0.953  1.0
  O  O37  1  0.896  0.443  0.815  1.0
  O  O38  1  0.354  0.670  0.047  1.0
  O  O39  1  0.627  0.080  0.185  1.0
  O  O40  1  0.693  0.646  0.315  1.0
  O  O41  1  0.920  0.104  0.547  1.0
  O  O42  1  0.330  0.377  0.685  1.0
  O  O43  1  0.557  0.373  0.453  1.0
  O  O44  1  0.097  0.946  0.505  1.0
  O  O45  1  0.809  0.804  0.651  1.0
  O  O46  1  0.441  0.592  0.495  1.0
  O  O47  1  0.153  0.158  0.349  1.0
  O  O48  1  0.054  0.559  0.151  1.0
  O  O49  1  0.842  0.191  0.995  1.0
  O  O50  1  0.408  0.903  0.849  1.0
  O  O51  1  0.196  0.847  0.005  1.0
[/CIF]
.
The structure described by BaSrV4(CuO4)4 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent V(2)O4 tetrahedra and edges with four equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra. Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one V(2), and two equivalent Cu(1) atoms. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), one V(1), and one Cu(1) atom. In the third O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one V(2), and one Cu(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrV4(CuO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.996
_cell_length_b   9.996
_cell_length_c   9.996
_cell_angle_alpha   99.606
_cell_angle_beta   99.606
_cell_angle_gamma   131.780
_symmetry_Int_Tables_number   1
_cell_volume   679.827
_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  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.250  0.750  0.500  1.0
  V  V4  1  0.125  0.319  0.694  1.0
  V  V5  1  0.625  0.431  0.306  1.0
  V  V6  1  0.681  0.375  0.806  1.0
  V  V7  1  0.569  0.875  0.194  1.0
  V  V8  1  0.125  0.780  0.155  1.0
  V  V9  1  0.625  0.970  0.845  1.0
  V  V10  1  0.220  0.375  0.345  1.0
  V  V11  1  0.030  0.875  0.655  1.0
  Cu  Cu12  1  0.919  0.903  0.333  1.0
  Cu  Cu13  1  0.680  0.847  0.516  1.0
  Cu  Cu14  1  0.570  0.586  0.667  1.0
  Cu  Cu15  1  0.331  0.164  0.484  1.0
  Cu  Cu16  1  0.097  0.430  0.016  1.0
  Cu  Cu17  1  0.836  0.320  0.167  1.0
  Cu  Cu18  1  0.414  0.081  0.984  1.0
  Cu  Cu19  1  0.153  0.669  0.833  1.0
  O  O20  1  0.820  0.457  0.320  1.0
  O  O21  1  0.112  0.293  0.862  1.0
  O  O22  1  0.138  0.500  0.680  1.0
  O  O23  1  0.430  0.250  0.138  1.0
  O  O24  1  0.543  0.862  0.362  1.0
  O  O25  1  0.750  0.888  0.180  1.0
  O  O26  1  0.500  0.180  0.638  1.0
  O  O27  1  0.707  0.570  0.820  1.0
  O  O28  1  0.630  0.806  0.860  1.0
  O  O29  1  0.304  0.944  0.324  1.0
  O  O30  1  0.946  0.770  0.140  1.0
  O  O31  1  0.620  0.980  0.676  1.0
  O  O32  1  0.194  0.054  0.824  1.0
  O  O33  1  0.020  0.696  0.640  1.0
  O  O34  1  0.230  0.370  0.176  1.0
  O  O35  1  0.056  0.380  0.360  1.0
  O  O36  1  0.623  0.307  0.953  1.0
  O  O37  1  0.896  0.443  0.815  1.0
  O  O38  1  0.354  0.670  0.047  1.0
  O  O39  1  0.627  0.080  0.185  1.0
  O  O40  1  0.693  0.646  0.315  1.0
  O  O41  1  0.920  0.104  0.547  1.0
  O  O42  1  0.330  0.377  0.685  1.0
  O  O43  1  0.557  0.373  0.453  1.0
  O  O44  1  0.097  0.946  0.505  1.0
  O  O45  1  0.809  0.804  0.651  1.0
  O  O46  1  0.441  0.592  0.495  1.0
  O  O47  1  0.153  0.158  0.349  1.0
  O  O48  1  0.054  0.559  0.151  1.0
  O  O49  1  0.842  0.191  0.995  1.0
  O  O50  1  0.408  0.903  0.849  1.0
  O  O51  1  0.196  0.847  0.005  1.0
[/CIF]
.