The material described by Pb2In4P6O23 crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(13), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(6), one O(7), and one O(8) atom. In the third In site, In(3) is bonded to one O(12), one O(16), one O(17), one O(19), one O(22), and one O(3) atom to form InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the fourth In site, In(4) is bonded to one O(11), one O(15), one O(18), one O(20), one O(21), and one O(4) atom to form InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(13), one O(15), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(14), one O(16), and one O(2) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and  a cornercorner with one In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second P site, P(2) is bonded to one O(14), one O(16), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and  a cornercorner with one In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the third P site, P(3) is bonded to one O(19), one O(23), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fourth P site, P(4) is bonded to one O(10), one O(20), one O(23), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one In(4)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(21), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(22), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(4)O6 octahedra, and corners with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one In(2), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one In(1), one Pb(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one In(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one In(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one In(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one In(2), one Pb(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one In(4), one Pb(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one In(3), one Pb(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one In(2), one Pb(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one In(4), one Pb(1), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one In(3), one Pb(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one In(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one In(4) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one In(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one In(4) and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one In(4) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one In(3) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one P(3) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4P6Pb2O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   8.383
_cell_length_c   9.138
_cell_angle_alpha   100.191
_cell_angle_beta   103.723
_cell_angle_gamma   103.979
_symmetry_Int_Tables_number   1
_cell_volume   466.925
_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
  In  In0  1  0.973  0.788  0.051  1.0
  In  In1  1  0.026  0.212  0.948  1.0
  In  In2  1  0.773  0.179  0.427  1.0
  In  In3  1  0.227  0.820  0.574  1.0
  P  P4  1  0.989  0.510  0.740  1.0
  P  P5  1  0.012  0.490  0.260  1.0
  P  P6  1  0.523  0.859  0.092  1.0
  P  P7  1  0.489  0.145  0.912  1.0
  P  P8  1  0.784  0.896  0.657  1.0
  P  P9  1  0.216  0.104  0.343  1.0
  Pb  Pb10  1  0.465  0.507  0.727  1.0
  Pb  Pb11  1  0.536  0.493  0.274  1.0
  O  O12  1  0.098  0.386  0.810  1.0
  O  O13  1  0.904  0.615  0.191  1.0
  O  O14  1  0.814  0.419  0.584  1.0
  O  O15  1  0.187  0.580  0.416  1.0
  O  O16  1  0.291  0.768  0.076  1.0
  O  O17  1  0.711  0.251  0.914  1.0
  O  O18  1  0.921  0.950  0.836  1.0
  O  O19  1  0.079  0.050  0.164  1.0
  O  O20  1  0.621  0.737  0.003  1.0
  O  O21  1  0.380  0.257  0.001  1.0
  O  O22  1  0.556  0.776  0.643  1.0
  O  O23  1  0.445  0.224  0.357  1.0
  O  O24  1  0.869  0.593  0.843  1.0
  O  O25  1  0.132  0.407  0.156  1.0
  O  O26  1  0.184  0.648  0.727  1.0
  O  O27  1  0.816  0.352  0.273  1.0
  O  O28  1  0.758  0.060  0.612  1.0
  O  O29  1  0.243  0.941  0.389  1.0
  O  O30  1  0.665  0.936  0.259  1.0
  O  O31  1  0.338  0.053  0.751  1.0
  O  O32  1  0.891  0.798  0.556  1.0
  O  O33  1  0.110  0.202  0.444  1.0
  O  O34  1  0.534  0.011  0.008  1.0
[/CIF]
.
The material described by Pb2In4P6O23 crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(13), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(6), one O(7), and one O(8) atom. In the third In site, In(3) is bonded to one O(12), one O(16), one O(17), one O(19), one O(22), and one O(3) atom to form InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the fourth In site, In(4) is bonded to one O(11), one O(15), one O(18), one O(20), one O(21), and one O(4) atom to form InO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(13), one O(15), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(14), one O(16), and one O(2) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and  a cornercorner with one In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second P site, P(2) is bonded to one O(14), one O(16), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and  a cornercorner with one In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the third P site, P(3) is bonded to one O(19), one O(23), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fourth P site, P(4) is bonded to one O(10), one O(20), one O(23), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one In(4)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(21), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent In(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(22), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(4)O6 octahedra, and corners with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are twenty-three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one In(2), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one In(1), one Pb(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one In(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one In(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one In(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one In(2), one Pb(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one In(4), one Pb(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one In(3), one Pb(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one In(2), one Pb(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one In(4), one Pb(1), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one In(3), one Pb(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one In(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one In(4) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one In(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one In(4) and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one In(4) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one In(3) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one P(3) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4P6Pb2O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   8.383
_cell_length_c   9.138
_cell_angle_alpha   100.191
_cell_angle_beta   103.723
_cell_angle_gamma   103.979
_symmetry_Int_Tables_number   1
_cell_volume   466.925
_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
  In  In0  1  0.973  0.788  0.051  1.0
  In  In1  1  0.026  0.212  0.948  1.0
  In  In2  1  0.773  0.179  0.427  1.0
  In  In3  1  0.227  0.820  0.574  1.0
  P  P4  1  0.989  0.510  0.740  1.0
  P  P5  1  0.012  0.490  0.260  1.0
  P  P6  1  0.523  0.859  0.092  1.0
  P  P7  1  0.489  0.145  0.912  1.0
  P  P8  1  0.784  0.896  0.657  1.0
  P  P9  1  0.216  0.104  0.343  1.0
  Pb  Pb10  1  0.465  0.507  0.727  1.0
  Pb  Pb11  1  0.536  0.493  0.274  1.0
  O  O12  1  0.098  0.386  0.810  1.0
  O  O13  1  0.904  0.615  0.191  1.0
  O  O14  1  0.814  0.419  0.584  1.0
  O  O15  1  0.187  0.580  0.416  1.0
  O  O16  1  0.291  0.768  0.076  1.0
  O  O17  1  0.711  0.251  0.914  1.0
  O  O18  1  0.921  0.950  0.836  1.0
  O  O19  1  0.079  0.050  0.164  1.0
  O  O20  1  0.621  0.737  0.003  1.0
  O  O21  1  0.380  0.257  0.001  1.0
  O  O22  1  0.556  0.776  0.643  1.0
  O  O23  1  0.445  0.224  0.357  1.0
  O  O24  1  0.869  0.593  0.843  1.0
  O  O25  1  0.132  0.407  0.156  1.0
  O  O26  1  0.184  0.648  0.727  1.0
  O  O27  1  0.816  0.352  0.273  1.0
  O  O28  1  0.758  0.060  0.612  1.0
  O  O29  1  0.243  0.941  0.389  1.0
  O  O30  1  0.665  0.936  0.259  1.0
  O  O31  1  0.338  0.053  0.751  1.0
  O  O32  1  0.891  0.798  0.556  1.0
  O  O33  1  0.110  0.202  0.444  1.0
  O  O34  1  0.534  0.011  0.008  1.0
[/CIF]
.