The crystal structure described by Cu3In2(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. In(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one In(1), and one P(1) atom. In the second O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one In(1), and one P(1) atom. In the third O site, O(8) is bonded in a 2-coordinate geometry to one Cu(2) and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one In(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one In(1), and one P(2) atom. In the eighth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one In(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   7.999
_cell_length_c   9.083
_cell_angle_alpha   72.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.049
_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
  In  In0  1  0.499  0.753  0.244  1.0
  In  In1  1  0.501  0.247  0.756  1.0
  In  In2  1  0.999  0.747  0.756  1.0
  In  In3  1  0.001  0.253  0.244  1.0
  Cu  Cu4  1  0.873  0.614  0.404  1.0
  Cu  Cu5  1  0.627  0.114  0.404  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.127  0.386  0.596  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.373  0.886  0.596  1.0
  P  P10  1  0.687  0.145  0.086  1.0
  P  P11  1  0.313  0.855  0.914  1.0
  P  P12  1  0.187  0.355  0.914  1.0
  P  P13  1  0.838  0.159  0.598  1.0
  P  P14  1  0.162  0.841  0.402  1.0
  P  P15  1  0.813  0.645  0.086  1.0
  P  P16  1  0.662  0.659  0.598  1.0
  P  P17  1  0.338  0.341  0.402  1.0
  O  O18  1  0.084  0.668  0.405  1.0
  O  O19  1  0.610  0.501  0.729  1.0
  O  O20  1  0.361  0.895  0.061  1.0
  O  O21  1  0.648  0.621  0.436  1.0
  O  O22  1  0.852  0.121  0.436  1.0
  O  O23  1  0.416  0.168  0.405  1.0
  O  O24  1  0.163  0.311  0.404  1.0
  O  O25  1  0.110  0.999  0.271  1.0
  O  O26  1  0.390  0.499  0.271  1.0
  O  O27  1  0.337  0.811  0.404  1.0
  O  O28  1  0.148  0.879  0.564  1.0
  O  O29  1  0.861  0.605  0.939  1.0
  O  O30  1  0.663  0.189  0.596  1.0
  O  O31  1  0.916  0.332  0.595  1.0
  O  O32  1  0.867  0.494  0.236  1.0
  O  O33  1  0.367  0.006  0.764  1.0
  O  O34  1  0.136  0.842  0.913  1.0
  O  O35  1  0.584  0.832  0.595  1.0
  O  O36  1  0.625  0.313  0.111  1.0
  O  O37  1  0.837  0.689  0.596  1.0
  O  O38  1  0.364  0.342  0.913  1.0
  O  O39  1  0.633  0.994  0.236  1.0
  O  O40  1  0.890  0.001  0.729  1.0
  O  O41  1  0.125  0.187  0.889  1.0
  O  O42  1  0.636  0.658  0.087  1.0
  O  O43  1  0.139  0.395  0.061  1.0
  O  O44  1  0.875  0.813  0.111  1.0
  O  O45  1  0.639  0.105  0.939  1.0
  O  O46  1  0.864  0.158  0.087  1.0
  O  O47  1  0.133  0.506  0.764  1.0
  O  O48  1  0.375  0.687  0.889  1.0
  O  O49  1  0.352  0.379  0.564  1.0
[/CIF]
.
The crystal structure described by Cu3In2(PO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. In(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one In(1), and one P(1) atom. In the second O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(2), one In(1), and one P(1) atom. In the third O site, O(8) is bonded in a 2-coordinate geometry to one Cu(2) and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one In(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one In(1), and one P(2) atom. In the eighth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(1), one In(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2Cu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.913
_cell_length_b   7.999
_cell_length_c   9.083
_cell_angle_alpha   72.335
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   617.049
_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
  In  In0  1  0.499  0.753  0.244  1.0
  In  In1  1  0.501  0.247  0.756  1.0
  In  In2  1  0.999  0.747  0.756  1.0
  In  In3  1  0.001  0.253  0.244  1.0
  Cu  Cu4  1  0.873  0.614  0.404  1.0
  Cu  Cu5  1  0.627  0.114  0.404  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.127  0.386  0.596  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.373  0.886  0.596  1.0
  P  P10  1  0.687  0.145  0.086  1.0
  P  P11  1  0.313  0.855  0.914  1.0
  P  P12  1  0.187  0.355  0.914  1.0
  P  P13  1  0.838  0.159  0.598  1.0
  P  P14  1  0.162  0.841  0.402  1.0
  P  P15  1  0.813  0.645  0.086  1.0
  P  P16  1  0.662  0.659  0.598  1.0
  P  P17  1  0.338  0.341  0.402  1.0
  O  O18  1  0.084  0.668  0.405  1.0
  O  O19  1  0.610  0.501  0.729  1.0
  O  O20  1  0.361  0.895  0.061  1.0
  O  O21  1  0.648  0.621  0.436  1.0
  O  O22  1  0.852  0.121  0.436  1.0
  O  O23  1  0.416  0.168  0.405  1.0
  O  O24  1  0.163  0.311  0.404  1.0
  O  O25  1  0.110  0.999  0.271  1.0
  O  O26  1  0.390  0.499  0.271  1.0
  O  O27  1  0.337  0.811  0.404  1.0
  O  O28  1  0.148  0.879  0.564  1.0
  O  O29  1  0.861  0.605  0.939  1.0
  O  O30  1  0.663  0.189  0.596  1.0
  O  O31  1  0.916  0.332  0.595  1.0
  O  O32  1  0.867  0.494  0.236  1.0
  O  O33  1  0.367  0.006  0.764  1.0
  O  O34  1  0.136  0.842  0.913  1.0
  O  O35  1  0.584  0.832  0.595  1.0
  O  O36  1  0.625  0.313  0.111  1.0
  O  O37  1  0.837  0.689  0.596  1.0
  O  O38  1  0.364  0.342  0.913  1.0
  O  O39  1  0.633  0.994  0.236  1.0
  O  O40  1  0.890  0.001  0.729  1.0
  O  O41  1  0.125  0.187  0.889  1.0
  O  O42  1  0.636  0.658  0.087  1.0
  O  O43  1  0.139  0.395  0.061  1.0
  O  O44  1  0.875  0.813  0.111  1.0
  O  O45  1  0.639  0.105  0.939  1.0
  O  O46  1  0.864  0.158  0.087  1.0
  O  O47  1  0.133  0.506  0.764  1.0
  O  O48  1  0.375  0.687  0.889  1.0
  O  O49  1  0.352  0.379  0.564  1.0
[/CIF]
.