The compound described by Cs3In3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  an edgeedge with one In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra and corners with three equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. In the second O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(1) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(1), one In(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one In(2), and one P(1) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs3In3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.786
_cell_length_b   9.786
_cell_length_c   10.105
_cell_angle_alpha   88.725
_cell_angle_beta   88.725
_cell_angle_gamma   62.857
_symmetry_Int_Tables_number   1
_cell_volume   860.890
_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
  Cs  Cs0  1  0.332  0.444  0.186  1.0
  Cs  Cs1  1  0.556  0.668  0.314  1.0
  Cs  Cs2  1  0.668  0.556  0.814  1.0
  Cs  Cs3  1  0.444  0.332  0.686  1.0
  Cs  Cs4  1  0.000  0.500  0.500  1.0
  Cs  Cs5  1  0.500  0.000  0.000  1.0
  In  In6  1  0.084  0.916  0.250  1.0
  In  In7  1  0.916  0.084  0.750  1.0
  In  In8  1  0.035  0.672  0.831  1.0
  In  In9  1  0.328  0.965  0.669  1.0
  In  In10  1  0.965  0.328  0.169  1.0
  In  In11  1  0.672  0.035  0.331  1.0
  P  P12  1  0.205  0.774  0.561  1.0
  P  P13  1  0.226  0.795  0.939  1.0
  P  P14  1  0.795  0.226  0.439  1.0
  P  P15  1  0.774  0.205  0.061  1.0
  P  P16  1  0.884  0.717  0.145  1.0
  P  P17  1  0.283  0.116  0.355  1.0
  P  P18  1  0.116  0.283  0.855  1.0
  P  P19  1  0.717  0.884  0.645  1.0
  O  O20  1  0.166  0.664  0.646  1.0
  O  O21  1  0.336  0.834  0.854  1.0
  O  O22  1  0.834  0.336  0.354  1.0
  O  O23  1  0.664  0.166  0.146  1.0
  O  O24  1  0.113  0.946  0.614  1.0
  O  O25  1  0.054  0.887  0.886  1.0
  O  O26  1  0.887  0.054  0.386  1.0
  O  O27  1  0.946  0.113  0.114  1.0
  O  O28  1  0.173  0.754  0.416  1.0
  O  O29  1  0.246  0.827  0.084  1.0
  O  O30  1  0.827  0.246  0.584  1.0
  O  O31  1  0.754  0.173  0.916  1.0
  O  O32  1  0.376  0.743  0.575  1.0
  O  O33  1  0.257  0.624  0.925  1.0
  O  O34  1  0.624  0.257  0.425  1.0
  O  O35  1  0.743  0.376  0.075  1.0
  O  O36  1  0.730  0.842  0.202  1.0
  O  O37  1  0.158  0.270  0.298  1.0
  O  O38  1  0.270  0.158  0.798  1.0
  O  O39  1  0.842  0.730  0.702  1.0
  O  O40  1  0.873  0.713  0.992  1.0
  O  O41  1  0.287  0.127  0.508  1.0
  O  O42  1  0.127  0.287  0.008  1.0
  O  O43  1  0.713  0.873  0.492  1.0
  O  O44  1  0.907  0.561  0.206  1.0
  O  O45  1  0.439  0.093  0.294  1.0
  O  O46  1  0.093  0.439  0.794  1.0
  O  O47  1  0.561  0.907  0.706  1.0
  O  O48  1  0.018  0.747  0.187  1.0
  O  O49  1  0.253  0.982  0.313  1.0
  O  O50  1  0.982  0.253  0.813  1.0
  O  O51  1  0.747  0.018  0.687  1.0
[/CIF]
.
The compound described by Cs3In3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(5), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, and  an edgeedge with one In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra and corners with three equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. In the second O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one P(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(1) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(1), one In(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one In(2), and one P(1) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one In(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs3In3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.786
_cell_length_b   9.786
_cell_length_c   10.105
_cell_angle_alpha   88.725
_cell_angle_beta   88.725
_cell_angle_gamma   62.857
_symmetry_Int_Tables_number   1
_cell_volume   860.890
_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
  Cs  Cs0  1  0.332  0.444  0.186  1.0
  Cs  Cs1  1  0.556  0.668  0.314  1.0
  Cs  Cs2  1  0.668  0.556  0.814  1.0
  Cs  Cs3  1  0.444  0.332  0.686  1.0
  Cs  Cs4  1  0.000  0.500  0.500  1.0
  Cs  Cs5  1  0.500  0.000  0.000  1.0
  In  In6  1  0.084  0.916  0.250  1.0
  In  In7  1  0.916  0.084  0.750  1.0
  In  In8  1  0.035  0.672  0.831  1.0
  In  In9  1  0.328  0.965  0.669  1.0
  In  In10  1  0.965  0.328  0.169  1.0
  In  In11  1  0.672  0.035  0.331  1.0
  P  P12  1  0.205  0.774  0.561  1.0
  P  P13  1  0.226  0.795  0.939  1.0
  P  P14  1  0.795  0.226  0.439  1.0
  P  P15  1  0.774  0.205  0.061  1.0
  P  P16  1  0.884  0.717  0.145  1.0
  P  P17  1  0.283  0.116  0.355  1.0
  P  P18  1  0.116  0.283  0.855  1.0
  P  P19  1  0.717  0.884  0.645  1.0
  O  O20  1  0.166  0.664  0.646  1.0
  O  O21  1  0.336  0.834  0.854  1.0
  O  O22  1  0.834  0.336  0.354  1.0
  O  O23  1  0.664  0.166  0.146  1.0
  O  O24  1  0.113  0.946  0.614  1.0
  O  O25  1  0.054  0.887  0.886  1.0
  O  O26  1  0.887  0.054  0.386  1.0
  O  O27  1  0.946  0.113  0.114  1.0
  O  O28  1  0.173  0.754  0.416  1.0
  O  O29  1  0.246  0.827  0.084  1.0
  O  O30  1  0.827  0.246  0.584  1.0
  O  O31  1  0.754  0.173  0.916  1.0
  O  O32  1  0.376  0.743  0.575  1.0
  O  O33  1  0.257  0.624  0.925  1.0
  O  O34  1  0.624  0.257  0.425  1.0
  O  O35  1  0.743  0.376  0.075  1.0
  O  O36  1  0.730  0.842  0.202  1.0
  O  O37  1  0.158  0.270  0.298  1.0
  O  O38  1  0.270  0.158  0.798  1.0
  O  O39  1  0.842  0.730  0.702  1.0
  O  O40  1  0.873  0.713  0.992  1.0
  O  O41  1  0.287  0.127  0.508  1.0
  O  O42  1  0.127  0.287  0.008  1.0
  O  O43  1  0.713  0.873  0.492  1.0
  O  O44  1  0.907  0.561  0.206  1.0
  O  O45  1  0.439  0.093  0.294  1.0
  O  O46  1  0.093  0.439  0.794  1.0
  O  O47  1  0.561  0.907  0.706  1.0
  O  O48  1  0.018  0.747  0.187  1.0
  O  O49  1  0.253  0.982  0.313  1.0
  O  O50  1  0.982  0.253  0.813  1.0
  O  O51  1  0.747  0.018  0.687  1.0
[/CIF]
.