The material described by (InPO5)2O2 crystallizes in the monoclinic P2_1/c space group. The structure consists of two hydrogen peroxide molecules inside a InPO5 framework. In the InPO5 framework, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form InO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. 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(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one In(1), one P(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one In(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one In(1) and one O(3) atom. is represented by the CIF card [CIF]
data_InPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   5.362
_cell_length_c   10.547
_cell_angle_alpha   66.778
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.418
_cell_formula_units_Z   4
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  0.816  0.890  0.677  1.0
  In  In1  1  0.184  0.110  0.323  1.0
  In  In2  1  0.316  0.110  0.823  1.0
  In  In3  1  0.684  0.890  0.177  1.0
  P  P4  1  0.142  0.730  0.646  1.0
  P  P5  1  0.858  0.270  0.354  1.0
  P  P6  1  0.642  0.270  0.854  1.0
  P  P7  1  0.358  0.730  0.146  1.0
  O  O8  1  0.205  0.478  0.759  1.0
  O  O9  1  0.795  0.522  0.241  1.0
  O  O10  1  0.705  0.522  0.741  1.0
  O  O11  1  0.295  0.478  0.259  1.0
  O  O12  1  0.986  0.702  0.604  1.0
  O  O13  1  0.014  0.298  0.396  1.0
  O  O14  1  0.486  0.298  0.896  1.0
  O  O15  1  0.514  0.702  0.104  1.0
  O  O16  1  0.136  0.970  0.713  1.0
  O  O17  1  0.864  0.030  0.287  1.0
  O  O18  1  0.636  0.030  0.787  1.0
  O  O19  1  0.364  0.970  0.213  1.0
  O  O20  1  0.248  0.862  0.525  1.0
  O  O21  1  0.752  0.138  0.475  1.0
  O  O22  1  0.748  0.138  0.975  1.0
  O  O23  1  0.252  0.862  0.025  1.0
  O  O24  1  0.493  0.982  0.732  1.0
  O  O25  1  0.507  0.018  0.268  1.0
  O  O26  1  0.993  0.018  0.768  1.0
  O  O27  1  0.007  0.982  0.232  1.0
  O  O28  1  0.439  0.491  0.526  1.0
  O  O29  1  0.561  0.509  0.474  1.0
  O  O30  1  0.939  0.509  0.974  1.0
  O  O31  1  0.061  0.491  0.026  1.0
[/CIF]
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The material described by (InPO5)2O2 crystallizes in the monoclinic P2_1/c space group. The structure consists of two hydrogen peroxide molecules inside a InPO5 framework. In the InPO5 framework, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form InO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. 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(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one In(1), one P(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one In(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one In(1) and one O(3) atom. is represented by the CIF card [CIF]
data_InPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.147
_cell_length_b   5.362
_cell_length_c   10.547
_cell_angle_alpha   66.778
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.418
_cell_formula_units_Z   4
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  0.816  0.890  0.677  1.0
  In  In1  1  0.184  0.110  0.323  1.0
  In  In2  1  0.316  0.110  0.823  1.0
  In  In3  1  0.684  0.890  0.177  1.0
  P  P4  1  0.142  0.730  0.646  1.0
  P  P5  1  0.858  0.270  0.354  1.0
  P  P6  1  0.642  0.270  0.854  1.0
  P  P7  1  0.358  0.730  0.146  1.0
  O  O8  1  0.205  0.478  0.759  1.0
  O  O9  1  0.795  0.522  0.241  1.0
  O  O10  1  0.705  0.522  0.741  1.0
  O  O11  1  0.295  0.478  0.259  1.0
  O  O12  1  0.986  0.702  0.604  1.0
  O  O13  1  0.014  0.298  0.396  1.0
  O  O14  1  0.486  0.298  0.896  1.0
  O  O15  1  0.514  0.702  0.104  1.0
  O  O16  1  0.136  0.970  0.713  1.0
  O  O17  1  0.864  0.030  0.287  1.0
  O  O18  1  0.636  0.030  0.787  1.0
  O  O19  1  0.364  0.970  0.213  1.0
  O  O20  1  0.248  0.862  0.525  1.0
  O  O21  1  0.752  0.138  0.475  1.0
  O  O22  1  0.748  0.138  0.975  1.0
  O  O23  1  0.252  0.862  0.025  1.0
  O  O24  1  0.493  0.982  0.732  1.0
  O  O25  1  0.507  0.018  0.268  1.0
  O  O26  1  0.993  0.018  0.768  1.0
  O  O27  1  0.007  0.982  0.232  1.0
  O  O28  1  0.439  0.491  0.526  1.0
  O  O29  1  0.561  0.509  0.474  1.0
  O  O30  1  0.939  0.509  0.974  1.0
  O  O31  1  0.061  0.491  0.026  1.0
[/CIF]
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