The material structure described by In2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one In(2)O6 octahedra. 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 corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one In(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one In(1), one In(2), and one P(1) atom. In the fourth O site, O(4) 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(5) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form edge-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_In2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   6.372
_cell_length_c   6.827
_cell_angle_alpha   107.635
_cell_angle_beta   109.281
_cell_angle_gamma   95.741
_symmetry_Int_Tables_number   1
_cell_volume   200.613
_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  0.569  0.788  0.012  1.0
  In  In1  1  0.431  0.212  0.988  1.0
  In  In2  1  0.168  0.632  0.271  1.0
  In  In3  1  0.832  0.368  0.729  1.0
  P  P4  1  0.165  0.180  0.395  1.0
  P  P5  1  0.835  0.820  0.605  1.0
  O  O6  1  0.397  0.193  0.610  1.0
  O  O7  1  0.603  0.807  0.390  1.0
  O  O8  1  0.921  0.267  0.437  1.0
  O  O9  1  0.079  0.733  0.563  1.0
  O  O10  1  0.291  0.324  0.289  1.0
  O  O11  1  0.709  0.676  0.711  1.0
  O  O12  1  0.057  0.937  0.225  1.0
  O  O13  1  0.943  0.063  0.775  1.0
  O  O14  1  0.244  0.513  0.964  1.0
  O  O15  1  0.756  0.487  0.036  1.0
[/CIF]
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The material structure described by In2PO5 crystallizes in the triclinic P-1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form InO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one In(2)O6 octahedra. 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 corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one In(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one In(1), one In(2), and one P(1) atom. In the fourth O site, O(4) 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(5) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form edge-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_In2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   6.372
_cell_length_c   6.827
_cell_angle_alpha   107.635
_cell_angle_beta   109.281
_cell_angle_gamma   95.741
_symmetry_Int_Tables_number   1
_cell_volume   200.613
_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  0.569  0.788  0.012  1.0
  In  In1  1  0.431  0.212  0.988  1.0
  In  In2  1  0.168  0.632  0.271  1.0
  In  In3  1  0.832  0.368  0.729  1.0
  P  P4  1  0.165  0.180  0.395  1.0
  P  P5  1  0.835  0.820  0.605  1.0
  O  O6  1  0.397  0.193  0.610  1.0
  O  O7  1  0.603  0.807  0.390  1.0
  O  O8  1  0.921  0.267  0.437  1.0
  O  O9  1  0.079  0.733  0.563  1.0
  O  O10  1  0.291  0.324  0.289  1.0
  O  O11  1  0.709  0.676  0.711  1.0
  O  O12  1  0.057  0.937  0.225  1.0
  O  O13  1  0.943  0.063  0.775  1.0
  O  O14  1  0.244  0.513  0.964  1.0
  O  O15  1  0.756  0.487  0.036  1.0
[/CIF]
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