The compound described by Ba4Ta10NiO30 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 13-coordinate geometry to one O(11), two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 13-coordinate geometry to one O(12), two equivalent O(7), two equivalent O(9), four equivalent O(2), and four equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(11), two equivalent O(7), and four equivalent O(3) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-37°. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-35°. In the third Ta site, Ta(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 5-43°. Ni(1) is bonded in a 6-coordinate geometry to two equivalent O(9) and four equivalent O(10) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Ba(1), one Ba(3), one Ta(1), and one Ta(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Ba(4), one Ta(2), and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent Ta(3) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one Ba(1) and two equivalent Ta(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and two equivalent Ta(3) atoms. In the seventh O site, O(7) is bonded to one Ba(3), one Ba(4), and two equivalent Ta(1) atoms to form distorted corner-sharing OBa2Ta2 trigonal pyramids. In the eighth O site, O(8) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ta(1), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(3), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), and two equivalent Ta(2) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), and two equivalent Ta(2) atoms. is represented by the CIF file [CIF]
data_Ba4Ta10NiO30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.037
_cell_length_b   10.037
_cell_length_c   10.037
_cell_angle_alpha   133.577
_cell_angle_beta   117.907
_cell_angle_gamma   80.946
_symmetry_Int_Tables_number   1
_cell_volume   625.465
_cell_formula_units_Z   1
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  0.047  0.547  0.500  1.0
  Ba  Ba1  1  0.048  0.048  0.000  1.0
  Ba  Ba2  1  0.458  0.458  0.000  1.0
  Ba  Ba3  1  0.446  0.946  0.500  1.0
  Ta  Ta4  1  0.807  0.370  0.932  1.0
  Ta  Ta5  1  0.807  0.875  0.438  1.0
  Ta  Ta6  1  0.437  0.875  0.068  1.0
  Ta  Ta7  1  0.437  0.370  0.562  1.0
  Ta  Ta8  1  0.252  0.502  0.250  1.0
  Ta  Ta9  1  0.252  0.001  0.750  1.0
  Ta  Ta10  1  0.058  0.625  0.933  1.0
  Ta  Ta11  1  0.058  0.125  0.432  1.0
  Ta  Ta12  1  0.693  0.625  0.568  1.0
  Ta  Ta13  1  0.693  0.125  0.067  1.0
  Ni  Ni14  1  0.723  0.723  0.000  1.0
  O  O15  1  0.027  0.894  0.605  1.0
  O  O16  1  0.027  0.422  0.132  1.0
  O  O17  1  0.290  0.894  0.868  1.0
  O  O18  1  0.290  0.422  0.395  1.0
  O  O19  1  0.257  0.738  0.987  1.0
  O  O20  1  0.257  0.270  0.519  1.0
  O  O21  1  0.752  0.738  0.481  1.0
  O  O22  1  0.752  0.270  0.013  1.0
  O  O23  1  0.217  0.594  0.115  1.0
  O  O24  1  0.217  0.102  0.623  1.0
  O  O25  1  0.478  0.594  0.377  1.0
  O  O26  1  0.478  0.102  0.885  1.0
  O  O27  1  0.924  0.674  0.750  1.0
  O  O28  1  0.924  0.174  0.250  1.0
  O  O29  1  0.055  0.379  0.676  1.0
  O  O30  1  0.082  0.898  0.184  1.0
  O  O31  1  0.703  0.379  0.324  1.0
  O  O32  1  0.714  0.898  0.816  1.0
  O  O33  1  0.582  0.307  0.724  1.0
  O  O34  1  0.582  0.858  0.276  1.0
  O  O35  1  0.820  0.128  0.692  1.0
  O  O36  1  0.768  0.623  0.145  1.0
  O  O37  1  0.435  0.128  0.308  1.0
  O  O38  1  0.478  0.623  0.855  1.0
  O  O39  1  0.888  0.538  0.919  1.0
  O  O40  1  0.888  0.969  0.350  1.0
  O  O41  1  0.619  0.969  0.081  1.0
  O  O42  1  0.619  0.538  0.650  1.0
  O  O43  1  0.258  0.758  0.500  1.0
  O  O44  1  0.245  0.245  0.000  1.0
[/CIF]
.
The compound described by Ba4Ta10NiO30 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 13-coordinate geometry to one O(11), two equivalent O(4), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 13-coordinate geometry to one O(12), two equivalent O(7), two equivalent O(9), four equivalent O(2), and four equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(11), two equivalent O(7), and four equivalent O(3) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-37°. In the second Ta site, Ta(2) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-35°. In the third Ta site, Ta(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 5-43°. Ni(1) is bonded in a 6-coordinate geometry to two equivalent O(9) and four equivalent O(10) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Ba(1), one Ba(3), one Ta(1), and one Ta(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Ba(4), one Ta(2), and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), and two equivalent Ta(3) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one Ba(1) and two equivalent Ta(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and two equivalent Ta(3) atoms. In the seventh O site, O(7) is bonded to one Ba(3), one Ba(4), and two equivalent Ta(1) atoms to form distorted corner-sharing OBa2Ta2 trigonal pyramids. In the eighth O site, O(8) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ta(1), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(3), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), and two equivalent Ta(2) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), and two equivalent Ta(2) atoms. is represented by the CIF file [CIF]
data_Ba4Ta10NiO30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.037
_cell_length_b   10.037
_cell_length_c   10.037
_cell_angle_alpha   133.577
_cell_angle_beta   117.907
_cell_angle_gamma   80.946
_symmetry_Int_Tables_number   1
_cell_volume   625.465
_cell_formula_units_Z   1
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  0.047  0.547  0.500  1.0
  Ba  Ba1  1  0.048  0.048  0.000  1.0
  Ba  Ba2  1  0.458  0.458  0.000  1.0
  Ba  Ba3  1  0.446  0.946  0.500  1.0
  Ta  Ta4  1  0.807  0.370  0.932  1.0
  Ta  Ta5  1  0.807  0.875  0.438  1.0
  Ta  Ta6  1  0.437  0.875  0.068  1.0
  Ta  Ta7  1  0.437  0.370  0.562  1.0
  Ta  Ta8  1  0.252  0.502  0.250  1.0
  Ta  Ta9  1  0.252  0.001  0.750  1.0
  Ta  Ta10  1  0.058  0.625  0.933  1.0
  Ta  Ta11  1  0.058  0.125  0.432  1.0
  Ta  Ta12  1  0.693  0.625  0.568  1.0
  Ta  Ta13  1  0.693  0.125  0.067  1.0
  Ni  Ni14  1  0.723  0.723  0.000  1.0
  O  O15  1  0.027  0.894  0.605  1.0
  O  O16  1  0.027  0.422  0.132  1.0
  O  O17  1  0.290  0.894  0.868  1.0
  O  O18  1  0.290  0.422  0.395  1.0
  O  O19  1  0.257  0.738  0.987  1.0
  O  O20  1  0.257  0.270  0.519  1.0
  O  O21  1  0.752  0.738  0.481  1.0
  O  O22  1  0.752  0.270  0.013  1.0
  O  O23  1  0.217  0.594  0.115  1.0
  O  O24  1  0.217  0.102  0.623  1.0
  O  O25  1  0.478  0.594  0.377  1.0
  O  O26  1  0.478  0.102  0.885  1.0
  O  O27  1  0.924  0.674  0.750  1.0
  O  O28  1  0.924  0.174  0.250  1.0
  O  O29  1  0.055  0.379  0.676  1.0
  O  O30  1  0.082  0.898  0.184  1.0
  O  O31  1  0.703  0.379  0.324  1.0
  O  O32  1  0.714  0.898  0.816  1.0
  O  O33  1  0.582  0.307  0.724  1.0
  O  O34  1  0.582  0.858  0.276  1.0
  O  O35  1  0.820  0.128  0.692  1.0
  O  O36  1  0.768  0.623  0.145  1.0
  O  O37  1  0.435  0.128  0.308  1.0
  O  O38  1  0.478  0.623  0.855  1.0
  O  O39  1  0.888  0.538  0.919  1.0
  O  O40  1  0.888  0.969  0.350  1.0
  O  O41  1  0.619  0.969  0.081  1.0
  O  O42  1  0.619  0.538  0.650  1.0
  O  O43  1  0.258  0.758  0.500  1.0
  O  O44  1  0.245  0.245  0.000  1.0
[/CIF]
.