The material described by CsCuInP6O18 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(17), one O(18), one O(2), and one O(7) atom. Cu(1) is bonded to one O(10), one O(11), one O(12), one O(17), one O(18), and one O(9) atom to form CuO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In(1) is bonded to one O(1), one O(15), one O(16), one O(2), one O(7), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third P site, P(3) is bonded to one O(15), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fourth P site, P(4) is bonded to one O(16), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fifth P site, P(5) is bonded to one O(1), one O(13), one O(17), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cu(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(1), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(1), and one P(6) atom. is represented by the CIF card [CIF]
data_CsInCu(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   9.141
_cell_length_c   9.365
_cell_angle_alpha   86.679
_cell_angle_beta   105.393
_cell_angle_gamma   105.970
_symmetry_Int_Tables_number   1
_cell_volume   414.040
_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
  Cs  Cs0  1  0.507  0.021  0.523  1.0
  In  In1  1  0.001  1.000  0.002  1.0
  Cu  Cu2  1  0.001  0.501  0.500  1.0
  P  P3  1  0.436  0.541  0.295  1.0
  P  P4  1  0.563  0.459  0.705  1.0
  P  P5  1  0.596  0.237  0.956  1.0
  P  P6  1  0.404  0.763  0.044  1.0
  P  P7  1  0.002  0.245  0.253  1.0
  P  P8  1  0.998  0.755  0.747  1.0
  O  O9  1  0.028  0.091  0.217  1.0
  O  O10  1  0.973  0.909  0.784  1.0
  O  O11  1  0.791  0.300  0.115  1.0
  O  O12  1  0.208  0.699  0.885  1.0
  O  O13  1  0.667  0.389  0.866  1.0
  O  O14  1  0.332  0.612  0.134  1.0
  O  O15  1  0.682  0.112  0.899  1.0
  O  O16  1  0.319  0.889  0.101  1.0
  O  O17  1  0.318  0.597  0.405  1.0
  O  O18  1  0.682  0.402  0.596  1.0
  O  O19  1  0.743  0.567  0.328  1.0
  O  O20  1  0.256  0.433  0.672  1.0
  O  O21  1  0.293  0.364  0.251  1.0
  O  O22  1  0.706  0.636  0.748  1.0
  O  O23  1  0.299  0.201  0.961  1.0
  O  O24  1  0.701  0.798  0.038  1.0
  O  O25  1  0.923  0.258  0.392  1.0
  O  O26  1  0.078  0.742  0.608  1.0
[/CIF]
.
The material described by CsCuInP6O18 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(17), one O(18), one O(2), and one O(7) atom. Cu(1) is bonded to one O(10), one O(11), one O(12), one O(17), one O(18), and one O(9) atom to form CuO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In(1) is bonded to one O(1), one O(15), one O(16), one O(2), one O(7), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third P site, P(3) is bonded to one O(15), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fourth P site, P(4) is bonded to one O(16), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fifth P site, P(5) is bonded to one O(1), one O(13), one O(17), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cu(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(1), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Cs(1), one Cu(1), and one P(6) atom. is represented by the CIF card [CIF]
data_CsInCu(PO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   9.141
_cell_length_c   9.365
_cell_angle_alpha   86.679
_cell_angle_beta   105.393
_cell_angle_gamma   105.970
_symmetry_Int_Tables_number   1
_cell_volume   414.040
_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
  Cs  Cs0  1  0.507  0.021  0.523  1.0
  In  In1  1  0.001  1.000  0.002  1.0
  Cu  Cu2  1  0.001  0.501  0.500  1.0
  P  P3  1  0.436  0.541  0.295  1.0
  P  P4  1  0.563  0.459  0.705  1.0
  P  P5  1  0.596  0.237  0.956  1.0
  P  P6  1  0.404  0.763  0.044  1.0
  P  P7  1  0.002  0.245  0.253  1.0
  P  P8  1  0.998  0.755  0.747  1.0
  O  O9  1  0.028  0.091  0.217  1.0
  O  O10  1  0.973  0.909  0.784  1.0
  O  O11  1  0.791  0.300  0.115  1.0
  O  O12  1  0.208  0.699  0.885  1.0
  O  O13  1  0.667  0.389  0.866  1.0
  O  O14  1  0.332  0.612  0.134  1.0
  O  O15  1  0.682  0.112  0.899  1.0
  O  O16  1  0.319  0.889  0.101  1.0
  O  O17  1  0.318  0.597  0.405  1.0
  O  O18  1  0.682  0.402  0.596  1.0
  O  O19  1  0.743  0.567  0.328  1.0
  O  O20  1  0.256  0.433  0.672  1.0
  O  O21  1  0.293  0.364  0.251  1.0
  O  O22  1  0.706  0.636  0.748  1.0
  O  O23  1  0.299  0.201  0.961  1.0
  O  O24  1  0.701  0.798  0.038  1.0
  O  O25  1  0.923  0.258  0.392  1.0
  O  O26  1  0.078  0.742  0.608  1.0
[/CIF]
.