The material described by Pb2KNb5O15 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(16), and four equivalent O(11) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(14), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 9-38°. In the second Nb site, Nb(2) is bonded to one O(14), one O(15), one O(5), one O(9), and two equivalent O(13) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-43°. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(6), one O(8), and two equivalent O(12) atoms. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(17), one O(4), one O(8), and two equivalent O(10) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the fifth Nb site, Nb(5) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 4-22°. In the sixth Nb site, Nb(6) is bonded to one O(1), one O(17), one O(6), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(12), one O(13), and two equivalent O(15) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), two equivalent O(17), and two equivalent O(4) atoms. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Nb(5), and one Nb(6) atom. In the second O site, O(2) is bonded in a linear geometry to one K(2) and two equivalent Nb(5) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(4), and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(2) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nb(3) and one Nb(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Nb(6) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(3) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Nb(2) and one Nb(6) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent Nb(4) and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Nb(3) and one Pb(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and one Pb(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Nb(2), one Nb(3), and two equivalent Pb(1) atoms. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2) and two equivalent Nb(4) atoms. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Nb(4), one Nb(6), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNb5Pb2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.032
_cell_length_b   13.032
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.452
_symmetry_Int_Tables_number   1
_cell_volume   673.230
_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
  K  K0  1  0.170  0.830  0.500  1.0
  K  K1  1  0.824  0.176  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.424  0.782  0.000  1.0
  Nb  Nb4  1  0.218  0.576  0.000  1.0
  Nb  Nb5  1  0.714  0.917  0.000  1.0
  Nb  Nb6  1  0.083  0.286  0.000  1.0
  Nb  Nb7  1  0.574  0.212  0.000  1.0
  Nb  Nb8  1  0.788  0.426  0.000  1.0
  Nb  Nb9  1  0.991  0.009  0.000  1.0
  Nb  Nb10  1  0.285  0.067  0.000  1.0
  Nb  Nb11  1  0.933  0.715  0.000  1.0
  Pb  Pb12  1  0.508  0.986  0.500  1.0
  Pb  Pb13  1  0.014  0.492  0.500  1.0
  Pb  Pb14  1  0.368  0.282  0.500  1.0
  Pb  Pb15  1  0.718  0.632  0.500  1.0
  O  O16  1  0.145  0.010  0.000  1.0
  O  O17  1  0.990  0.855  0.000  1.0
  O  O18  1  0.988  0.012  0.500  1.0
  O  O19  1  0.492  0.508  0.500  1.0
  O  O20  1  0.484  0.353  0.000  1.0
  O  O21  1  0.647  0.516  0.000  1.0
  O  O22  1  0.282  0.718  0.000  1.0
  O  O23  1  0.211  0.229  0.000  1.0
  O  O24  1  0.771  0.789  0.000  1.0
  O  O25  1  0.291  0.093  0.500  1.0
  O  O26  1  0.907  0.709  0.500  1.0
  O  O27  1  0.630  0.083  0.000  1.0
  O  O28  1  0.917  0.370  0.000  1.0
  O  O29  1  0.347  0.942  0.000  1.0
  O  O30  1  0.058  0.653  0.000  1.0
  O  O31  1  0.556  0.221  0.500  1.0
  O  O32  1  0.779  0.444  0.500  1.0
  O  O33  1  0.833  0.008  0.000  1.0
  O  O34  1  0.992  0.167  0.000  1.0
  O  O35  1  0.689  0.932  0.500  1.0
  O  O36  1  0.068  0.311  0.500  1.0
  O  O37  1  0.417  0.810  0.500  1.0
  O  O38  1  0.190  0.583  0.500  1.0
  O  O39  1  0.494  0.664  0.000  1.0
  O  O40  1  0.336  0.506  0.000  1.0
  O  O41  1  0.553  0.880  0.000  1.0
  O  O42  1  0.120  0.447  0.000  1.0
  O  O43  1  0.704  0.296  0.000  1.0
  O  O44  1  0.419  0.161  0.000  1.0
  O  O45  1  0.839  0.581  0.000  1.0
[/CIF]
.
The material described by Pb2KNb5O15 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(16), and four equivalent O(11) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(14), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 9-38°. In the second Nb site, Nb(2) is bonded to one O(14), one O(15), one O(5), one O(9), and two equivalent O(13) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-43°. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(6), one O(8), and two equivalent O(12) atoms. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(17), one O(4), one O(8), and two equivalent O(10) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. In the fifth Nb site, Nb(5) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 4-22°. In the sixth Nb site, Nb(6) is bonded to one O(1), one O(17), one O(6), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(12), one O(13), and two equivalent O(15) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), two equivalent O(17), and two equivalent O(4) atoms. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Nb(5), and one Nb(6) atom. In the second O site, O(2) is bonded in a linear geometry to one K(2) and two equivalent Nb(5) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(4), and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(2) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nb(3) and one Nb(6) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Nb(6) and one Pb(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nb(3) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Nb(2) and one Nb(6) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent Nb(4) and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Nb(3), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Nb(3) and one Pb(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and one Pb(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Nb(2), one Nb(3), and two equivalent Pb(1) atoms. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2) and two equivalent Nb(4) atoms. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Nb(4), one Nb(6), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNb5Pb2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.032
_cell_length_b   13.032
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.452
_symmetry_Int_Tables_number   1
_cell_volume   673.230
_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
  K  K0  1  0.170  0.830  0.500  1.0
  K  K1  1  0.824  0.176  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.424  0.782  0.000  1.0
  Nb  Nb4  1  0.218  0.576  0.000  1.0
  Nb  Nb5  1  0.714  0.917  0.000  1.0
  Nb  Nb6  1  0.083  0.286  0.000  1.0
  Nb  Nb7  1  0.574  0.212  0.000  1.0
  Nb  Nb8  1  0.788  0.426  0.000  1.0
  Nb  Nb9  1  0.991  0.009  0.000  1.0
  Nb  Nb10  1  0.285  0.067  0.000  1.0
  Nb  Nb11  1  0.933  0.715  0.000  1.0
  Pb  Pb12  1  0.508  0.986  0.500  1.0
  Pb  Pb13  1  0.014  0.492  0.500  1.0
  Pb  Pb14  1  0.368  0.282  0.500  1.0
  Pb  Pb15  1  0.718  0.632  0.500  1.0
  O  O16  1  0.145  0.010  0.000  1.0
  O  O17  1  0.990  0.855  0.000  1.0
  O  O18  1  0.988  0.012  0.500  1.0
  O  O19  1  0.492  0.508  0.500  1.0
  O  O20  1  0.484  0.353  0.000  1.0
  O  O21  1  0.647  0.516  0.000  1.0
  O  O22  1  0.282  0.718  0.000  1.0
  O  O23  1  0.211  0.229  0.000  1.0
  O  O24  1  0.771  0.789  0.000  1.0
  O  O25  1  0.291  0.093  0.500  1.0
  O  O26  1  0.907  0.709  0.500  1.0
  O  O27  1  0.630  0.083  0.000  1.0
  O  O28  1  0.917  0.370  0.000  1.0
  O  O29  1  0.347  0.942  0.000  1.0
  O  O30  1  0.058  0.653  0.000  1.0
  O  O31  1  0.556  0.221  0.500  1.0
  O  O32  1  0.779  0.444  0.500  1.0
  O  O33  1  0.833  0.008  0.000  1.0
  O  O34  1  0.992  0.167  0.000  1.0
  O  O35  1  0.689  0.932  0.500  1.0
  O  O36  1  0.068  0.311  0.500  1.0
  O  O37  1  0.417  0.810  0.500  1.0
  O  O38  1  0.190  0.583  0.500  1.0
  O  O39  1  0.494  0.664  0.000  1.0
  O  O40  1  0.336  0.506  0.000  1.0
  O  O41  1  0.553  0.880  0.000  1.0
  O  O42  1  0.120  0.447  0.000  1.0
  O  O43  1  0.704  0.296  0.000  1.0
  O  O44  1  0.419  0.161  0.000  1.0
  O  O45  1  0.839  0.581  0.000  1.0
[/CIF]
.