The compound described by Sr3(InP2)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form distorted SrP6 octahedra that share corners with ten equivalent Sr(2)P5 square pyramids, corners with four equivalent In(1)P4 tetrahedra, edges with two equivalent Sr(1)P6 octahedra, edges with two equivalent Sr(2)P5 square pyramids, and edges with four equivalent In(1)P4 tetrahedra. In the second Sr site, Sr(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form distorted SrP5 square pyramids that share corners with five equivalent Sr(1)P6 octahedra, corners with four equivalent Sr(2)P5 square pyramids, corners with four equivalent In(1)P4 tetrahedra,  an edgeedge with one Sr(1)P6 octahedra, edges with two equivalent Sr(2)P5 square pyramids, and edges with three equivalent In(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-56°. In(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form InP4 tetrahedra that share corners with two equivalent Sr(1)P6 octahedra, corners with four equivalent Sr(2)P5 square pyramids, corners with two equivalent In(1)P4 tetrahedra, edges with two equivalent Sr(1)P6 octahedra, edges with three equivalent Sr(2)P5 square pyramids, and  an edgeedge with one In(1)P4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), and two equivalent In(1) atoms. In the second P site, P(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing PSr4In2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Sr3(InP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   6.929
_cell_length_c   16.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.610
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.292  0.801  1.0
  Sr  Sr2  1  0.500  0.208  0.301  1.0
  Sr  Sr3  1  0.500  0.792  0.699  1.0
  Sr  Sr4  1  0.000  0.708  0.199  1.0
  Sr  Sr5  1  0.000  0.000  0.000  1.0
  In  In6  1  0.500  0.367  0.085  1.0
  In  In7  1  0.000  0.133  0.585  1.0
  In  In8  1  0.000  0.867  0.415  1.0
  In  In9  1  0.500  0.633  0.915  1.0
  P  P10  1  0.500  0.748  0.335  1.0
  P  P11  1  0.500  0.263  0.932  1.0
  P  P12  1  0.000  0.237  0.432  1.0
  P  P13  1  0.000  0.763  0.568  1.0
  P  P14  1  0.500  0.737  0.068  1.0
  P  P15  1  0.000  0.752  0.835  1.0
  P  P16  1  0.500  0.252  0.665  1.0
  P  P17  1  0.000  0.248  0.165  1.0
[/CIF]
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The compound described by Sr3(InP2)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form distorted SrP6 octahedra that share corners with ten equivalent Sr(2)P5 square pyramids, corners with four equivalent In(1)P4 tetrahedra, edges with two equivalent Sr(1)P6 octahedra, edges with two equivalent Sr(2)P5 square pyramids, and edges with four equivalent In(1)P4 tetrahedra. In the second Sr site, Sr(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form distorted SrP5 square pyramids that share corners with five equivalent Sr(1)P6 octahedra, corners with four equivalent Sr(2)P5 square pyramids, corners with four equivalent In(1)P4 tetrahedra,  an edgeedge with one Sr(1)P6 octahedra, edges with two equivalent Sr(2)P5 square pyramids, and edges with three equivalent In(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-56°. In(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form InP4 tetrahedra that share corners with two equivalent Sr(1)P6 octahedra, corners with four equivalent Sr(2)P5 square pyramids, corners with two equivalent In(1)P4 tetrahedra, edges with two equivalent Sr(1)P6 octahedra, edges with three equivalent Sr(2)P5 square pyramids, and  an edgeedge with one In(1)P4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), and two equivalent In(1) atoms. In the second P site, P(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing PSr4In2 pentagonal pyramids. is represented by the CIF file [CIF]
data_Sr3(InP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   6.929
_cell_length_c   16.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   487.610
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.292  0.801  1.0
  Sr  Sr2  1  0.500  0.208  0.301  1.0
  Sr  Sr3  1  0.500  0.792  0.699  1.0
  Sr  Sr4  1  0.000  0.708  0.199  1.0
  Sr  Sr5  1  0.000  0.000  0.000  1.0
  In  In6  1  0.500  0.367  0.085  1.0
  In  In7  1  0.000  0.133  0.585  1.0
  In  In8  1  0.000  0.867  0.415  1.0
  In  In9  1  0.500  0.633  0.915  1.0
  P  P10  1  0.500  0.748  0.335  1.0
  P  P11  1  0.500  0.263  0.932  1.0
  P  P12  1  0.000  0.237  0.432  1.0
  P  P13  1  0.000  0.763  0.568  1.0
  P  P14  1  0.500  0.737  0.068  1.0
  P  P15  1  0.000  0.752  0.835  1.0
  P  P16  1  0.500  0.252  0.665  1.0
  P  P17  1  0.000  0.248  0.165  1.0
[/CIF]
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