The structure described by Sr3(InN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent In(2)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, and edges with three equivalent In(1)N4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share edges with three equivalent Sr(2)N6 octahedra and edges with two equivalent In(2)N4 trigonal pyramids. In the second In site, In(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted InN4 trigonal pyramids that share corners with six equivalent Sr(2)N6 octahedra and edges with two equivalent In(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-80°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one In(1), and one In(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one In(1), and one In(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr4In2 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. is represented by the CIF file [CIF]
data_Sr3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.262
_cell_length_b   11.130
_cell_length_c   9.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   680.170
_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
  Sr  Sr0  1  0.609  0.156  0.411  1.0
  Sr  Sr1  1  0.891  0.844  0.411  1.0
  Sr  Sr2  1  0.609  0.344  0.089  1.0
  Sr  Sr3  1  0.891  0.656  0.089  1.0
  Sr  Sr4  1  0.391  0.844  0.589  1.0
  Sr  Sr5  1  0.109  0.156  0.589  1.0
  Sr  Sr6  1  0.391  0.656  0.911  1.0
  Sr  Sr7  1  0.109  0.344  0.911  1.0
  Sr  Sr8  1  0.750  0.500  0.403  1.0
  Sr  Sr9  1  0.750  0.000  0.097  1.0
  Sr  Sr10  1  0.250  0.500  0.597  1.0
  Sr  Sr11  1  0.250  0.000  0.903  1.0
  In  In12  1  0.750  0.500  0.735  1.0
  In  In13  1  0.750  0.000  0.765  1.0
  In  In14  1  0.250  0.500  0.265  1.0
  In  In15  1  0.250  0.000  0.235  1.0
  In  In16  1  0.648  0.250  0.750  1.0
  In  In17  1  0.852  0.750  0.750  1.0
  In  In18  1  0.352  0.750  0.250  1.0
  In  In19  1  0.148  0.250  0.250  1.0
  N  N20  1  0.898  0.353  0.619  1.0
  N  N21  1  0.602  0.647  0.619  1.0
  N  N22  1  0.898  0.147  0.881  1.0
  N  N23  1  0.602  0.853  0.881  1.0
  N  N24  1  0.102  0.647  0.381  1.0
  N  N25  1  0.398  0.353  0.381  1.0
  N  N26  1  0.102  0.853  0.119  1.0
  N  N27  1  0.398  0.147  0.119  1.0
  N  N28  1  0.484  0.406  0.842  1.0
  N  N29  1  0.016  0.594  0.842  1.0
  N  N30  1  0.484  0.094  0.658  1.0
  N  N31  1  0.016  0.906  0.658  1.0
  N  N32  1  0.516  0.594  0.158  1.0
  N  N33  1  0.984  0.406  0.158  1.0
  N  N34  1  0.516  0.906  0.342  1.0
  N  N35  1  0.984  0.094  0.342  1.0
[/CIF]
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The structure described by Sr3(InN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent In(2)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, and edges with three equivalent In(1)N4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form InN4 tetrahedra that share edges with three equivalent Sr(2)N6 octahedra and edges with two equivalent In(2)N4 trigonal pyramids. In the second In site, In(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted InN4 trigonal pyramids that share corners with six equivalent Sr(2)N6 octahedra and edges with two equivalent In(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-80°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one In(1), and one In(2) atom. In the second N site, N(2) is bonded to one Sr(2), three equivalent Sr(1), one In(1), and one In(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr4In2 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. is represented by the CIF file [CIF]
data_Sr3(InN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.262
_cell_length_b   11.130
_cell_length_c   9.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   680.170
_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
  Sr  Sr0  1  0.609  0.156  0.411  1.0
  Sr  Sr1  1  0.891  0.844  0.411  1.0
  Sr  Sr2  1  0.609  0.344  0.089  1.0
  Sr  Sr3  1  0.891  0.656  0.089  1.0
  Sr  Sr4  1  0.391  0.844  0.589  1.0
  Sr  Sr5  1  0.109  0.156  0.589  1.0
  Sr  Sr6  1  0.391  0.656  0.911  1.0
  Sr  Sr7  1  0.109  0.344  0.911  1.0
  Sr  Sr8  1  0.750  0.500  0.403  1.0
  Sr  Sr9  1  0.750  0.000  0.097  1.0
  Sr  Sr10  1  0.250  0.500  0.597  1.0
  Sr  Sr11  1  0.250  0.000  0.903  1.0
  In  In12  1  0.750  0.500  0.735  1.0
  In  In13  1  0.750  0.000  0.765  1.0
  In  In14  1  0.250  0.500  0.265  1.0
  In  In15  1  0.250  0.000  0.235  1.0
  In  In16  1  0.648  0.250  0.750  1.0
  In  In17  1  0.852  0.750  0.750  1.0
  In  In18  1  0.352  0.750  0.250  1.0
  In  In19  1  0.148  0.250  0.250  1.0
  N  N20  1  0.898  0.353  0.619  1.0
  N  N21  1  0.602  0.647  0.619  1.0
  N  N22  1  0.898  0.147  0.881  1.0
  N  N23  1  0.602  0.853  0.881  1.0
  N  N24  1  0.102  0.647  0.381  1.0
  N  N25  1  0.398  0.353  0.381  1.0
  N  N26  1  0.102  0.853  0.119  1.0
  N  N27  1  0.398  0.147  0.119  1.0
  N  N28  1  0.484  0.406  0.842  1.0
  N  N29  1  0.016  0.594  0.842  1.0
  N  N30  1  0.484  0.094  0.658  1.0
  N  N31  1  0.016  0.906  0.658  1.0
  N  N32  1  0.516  0.594  0.158  1.0
  N  N33  1  0.984  0.406  0.158  1.0
  N  N34  1  0.516  0.906  0.342  1.0
  N  N35  1  0.984  0.094  0.342  1.0
[/CIF]
.