The material described by Ba10Nb3Bi7O30 is Krennerite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(13), one O(3), one O(6), one O(8), two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(14), one O(3), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(5), and three equivalent O(13) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(12) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), one O(15), one O(2), one O(3), one O(7), two equivalent O(11), and two equivalent O(6) atoms. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(3), one O(7), one O(8), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Bi(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and corners with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. In the second Nb site, Nb(2) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with three equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. In the second Bi site, Bi(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one Bi(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the third Bi site, Bi(3) is bonded to two equivalent O(15), two equivalent O(2), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Bi(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(4), two equivalent Ba(5), one Bi(3), and one Bi(4) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Nb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Bi(1), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Bi(3), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Nb(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(5), two equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(5), two equivalent Ba(4), one Bi(1), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(3), one Bi(2), and one Bi(4) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(1) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Nb(1), and one Bi(3) atom. is represented by the CIF card [CIF]
data_Ba10Nb3Bi7O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   13.743
_cell_length_c   10.540
_cell_angle_alpha   96.948
_cell_angle_beta   73.027
_cell_angle_gamma   77.050
_symmetry_Int_Tables_number   1
_cell_volume   814.647
_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  0.952  0.647  0.446  1.0
  Ba  Ba1  1  0.347  0.451  0.850  1.0
  Ba  Ba2  1  0.749  0.254  0.251  1.0
  Ba  Ba3  1  0.152  0.052  0.649  1.0
  Ba  Ba4  1  0.554  0.847  0.047  1.0
  Ba  Ba5  1  0.251  0.746  0.749  1.0
  Ba  Ba6  1  0.653  0.549  0.150  1.0
  Ba  Ba7  1  0.048  0.353  0.554  1.0
  Ba  Ba8  1  0.446  0.153  0.953  1.0
  Ba  Ba9  1  0.848  0.948  0.351  1.0
  Nb  Nb10  1  0.897  0.300  0.901  1.0
  Nb  Nb11  1  0.500  0.500  0.500  1.0
  Nb  Nb12  1  0.103  0.700  0.099  1.0
  Bi  Bi13  1  0.403  0.797  0.397  1.0
  Bi  Bi14  1  0.800  0.597  0.801  1.0
  Bi  Bi15  1  0.200  0.403  0.199  1.0
  Bi  Bi16  1  0.597  0.203  0.603  1.0
  Bi  Bi17  1  0.000  0.000  0.000  1.0
  Bi  Bi18  1  0.701  0.899  0.699  1.0
  Bi  Bi19  1  0.299  0.101  0.301  1.0
  O  O20  1  0.026  0.828  0.539  1.0
  O  O21  1  0.624  0.029  0.141  1.0
  O  O22  1  0.210  0.238  0.752  1.0
  O  O23  1  0.814  0.437  0.352  1.0
  O  O24  1  0.414  0.632  0.951  1.0
  O  O25  1  0.512  0.873  0.563  1.0
  O  O26  1  0.106  0.076  0.167  1.0
  O  O27  1  0.719  0.279  0.772  1.0
  O  O28  1  0.329  0.476  0.367  1.0
  O  O29  1  0.930  0.671  0.968  1.0
  O  O30  1  0.707  0.045  0.651  1.0
  O  O31  1  0.307  0.244  0.248  1.0
  O  O32  1  0.906  0.439  0.851  1.0
  O  O33  1  0.505  0.638  0.454  1.0
  O  O34  1  0.107  0.837  0.053  1.0
  O  O35  1  0.376  0.971  0.859  1.0
  O  O36  1  0.974  0.172  0.461  1.0
  O  O37  1  0.586  0.368  0.049  1.0
  O  O38  1  0.186  0.563  0.648  1.0
  O  O39  1  0.790  0.762  0.248  1.0
  O  O40  1  0.894  0.924  0.833  1.0
  O  O41  1  0.488  0.127  0.437  1.0
  O  O42  1  0.070  0.329  0.032  1.0
  O  O43  1  0.671  0.524  0.633  1.0
  O  O44  1  0.281  0.721  0.228  1.0
  O  O45  1  0.693  0.756  0.752  1.0
  O  O46  1  0.293  0.955  0.349  1.0
  O  O47  1  0.893  0.163  0.947  1.0
  O  O48  1  0.495  0.362  0.546  1.0
  O  O49  1  0.094  0.561  0.149  1.0
[/CIF]
.
The material described by Ba10Nb3Bi7O30 is Krennerite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(13), one O(3), one O(6), one O(8), two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(14), one O(3), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(5), and three equivalent O(13) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(12) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one O(1), one O(15), one O(2), one O(3), one O(7), two equivalent O(11), and two equivalent O(6) atoms. In the fifth Ba site, Ba(5) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(3), one O(7), one O(8), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Bi(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and corners with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-18°. In the second Nb site, Nb(2) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form BiO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with three equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. In the second Bi site, Bi(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form BiO6 octahedra that share  a cornercorner with one Bi(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the third Bi site, Bi(3) is bonded to two equivalent O(15), two equivalent O(2), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Bi(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(4), two equivalent Ba(5), one Bi(3), and one Bi(4) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Nb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Bi(1), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Bi(3), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Nb(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(5), two equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(5), two equivalent Ba(4), one Bi(1), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(5), two equivalent Ba(3), one Bi(2), and one Bi(4) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), one Nb(1), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Bi(1) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Nb(1), and one Bi(3) atom. is represented by the CIF card [CIF]
data_Ba10Nb3Bi7O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   13.743
_cell_length_c   10.540
_cell_angle_alpha   96.948
_cell_angle_beta   73.027
_cell_angle_gamma   77.050
_symmetry_Int_Tables_number   1
_cell_volume   814.647
_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  0.952  0.647  0.446  1.0
  Ba  Ba1  1  0.347  0.451  0.850  1.0
  Ba  Ba2  1  0.749  0.254  0.251  1.0
  Ba  Ba3  1  0.152  0.052  0.649  1.0
  Ba  Ba4  1  0.554  0.847  0.047  1.0
  Ba  Ba5  1  0.251  0.746  0.749  1.0
  Ba  Ba6  1  0.653  0.549  0.150  1.0
  Ba  Ba7  1  0.048  0.353  0.554  1.0
  Ba  Ba8  1  0.446  0.153  0.953  1.0
  Ba  Ba9  1  0.848  0.948  0.351  1.0
  Nb  Nb10  1  0.897  0.300  0.901  1.0
  Nb  Nb11  1  0.500  0.500  0.500  1.0
  Nb  Nb12  1  0.103  0.700  0.099  1.0
  Bi  Bi13  1  0.403  0.797  0.397  1.0
  Bi  Bi14  1  0.800  0.597  0.801  1.0
  Bi  Bi15  1  0.200  0.403  0.199  1.0
  Bi  Bi16  1  0.597  0.203  0.603  1.0
  Bi  Bi17  1  0.000  0.000  0.000  1.0
  Bi  Bi18  1  0.701  0.899  0.699  1.0
  Bi  Bi19  1  0.299  0.101  0.301  1.0
  O  O20  1  0.026  0.828  0.539  1.0
  O  O21  1  0.624  0.029  0.141  1.0
  O  O22  1  0.210  0.238  0.752  1.0
  O  O23  1  0.814  0.437  0.352  1.0
  O  O24  1  0.414  0.632  0.951  1.0
  O  O25  1  0.512  0.873  0.563  1.0
  O  O26  1  0.106  0.076  0.167  1.0
  O  O27  1  0.719  0.279  0.772  1.0
  O  O28  1  0.329  0.476  0.367  1.0
  O  O29  1  0.930  0.671  0.968  1.0
  O  O30  1  0.707  0.045  0.651  1.0
  O  O31  1  0.307  0.244  0.248  1.0
  O  O32  1  0.906  0.439  0.851  1.0
  O  O33  1  0.505  0.638  0.454  1.0
  O  O34  1  0.107  0.837  0.053  1.0
  O  O35  1  0.376  0.971  0.859  1.0
  O  O36  1  0.974  0.172  0.461  1.0
  O  O37  1  0.586  0.368  0.049  1.0
  O  O38  1  0.186  0.563  0.648  1.0
  O  O39  1  0.790  0.762  0.248  1.0
  O  O40  1  0.894  0.924  0.833  1.0
  O  O41  1  0.488  0.127  0.437  1.0
  O  O42  1  0.070  0.329  0.032  1.0
  O  O43  1  0.671  0.524  0.633  1.0
  O  O44  1  0.281  0.721  0.228  1.0
  O  O45  1  0.693  0.756  0.752  1.0
  O  O46  1  0.293  0.955  0.349  1.0
  O  O47  1  0.893  0.163  0.947  1.0
  O  O48  1  0.495  0.362  0.546  1.0
  O  O49  1  0.094  0.561  0.149  1.0
[/CIF]
.