The compound described by Na2InCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted InO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one In(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one In(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one In(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one In(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2InPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   5.274
_cell_length_c   9.140
_cell_angle_alpha   89.567
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.098
_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
  Na  Na0  1  0.498  0.232  0.779  1.0
  Na  Na1  1  0.002  0.232  0.779  1.0
  Na  Na2  1  0.502  0.768  0.221  1.0
  Na  Na3  1  0.998  0.768  0.221  1.0
  In  In4  1  0.750  0.773  0.640  1.0
  In  In5  1  0.250  0.227  0.360  1.0
  P  P6  1  0.250  0.713  0.579  1.0
  P  P7  1  0.750  0.287  0.421  1.0
  C  C8  1  0.750  0.731  0.930  1.0
  C  C9  1  0.250  0.269  0.070  1.0
  O  O10  1  0.250  0.297  0.933  1.0
  O  O11  1  0.750  0.953  0.864  1.0
  O  O12  1  0.750  0.533  0.840  1.0
  O  O13  1  0.067  0.802  0.663  1.0
  O  O14  1  0.433  0.802  0.663  1.0
  O  O15  1  0.750  0.179  0.581  1.0
  O  O16  1  0.250  0.414  0.568  1.0
  O  O17  1  0.750  0.586  0.432  1.0
  O  O18  1  0.250  0.821  0.419  1.0
  O  O19  1  0.567  0.198  0.337  1.0
  O  O20  1  0.933  0.198  0.337  1.0
  O  O21  1  0.250  0.467  0.160  1.0
  O  O22  1  0.250  0.047  0.136  1.0
  O  O23  1  0.750  0.703  0.067  1.0
[/CIF]
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The compound described by Na2InCPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted InO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one In(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one In(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one In(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one In(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one In(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2InPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   5.274
_cell_length_c   9.140
_cell_angle_alpha   89.567
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.098
_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
  Na  Na0  1  0.498  0.232  0.779  1.0
  Na  Na1  1  0.002  0.232  0.779  1.0
  Na  Na2  1  0.502  0.768  0.221  1.0
  Na  Na3  1  0.998  0.768  0.221  1.0
  In  In4  1  0.750  0.773  0.640  1.0
  In  In5  1  0.250  0.227  0.360  1.0
  P  P6  1  0.250  0.713  0.579  1.0
  P  P7  1  0.750  0.287  0.421  1.0
  C  C8  1  0.750  0.731  0.930  1.0
  C  C9  1  0.250  0.269  0.070  1.0
  O  O10  1  0.250  0.297  0.933  1.0
  O  O11  1  0.750  0.953  0.864  1.0
  O  O12  1  0.750  0.533  0.840  1.0
  O  O13  1  0.067  0.802  0.663  1.0
  O  O14  1  0.433  0.802  0.663  1.0
  O  O15  1  0.750  0.179  0.581  1.0
  O  O16  1  0.250  0.414  0.568  1.0
  O  O17  1  0.750  0.586  0.432  1.0
  O  O18  1  0.250  0.821  0.419  1.0
  O  O19  1  0.567  0.198  0.337  1.0
  O  O20  1  0.933  0.198  0.337  1.0
  O  O21  1  0.250  0.467  0.160  1.0
  O  O22  1  0.250  0.047  0.136  1.0
  O  O23  1  0.750  0.703  0.067  1.0
[/CIF]
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