The crystal structure described by Sr2InN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. In(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one In(1) atom to form a mixture of distorted edge and corner-sharing NSr5In octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one In(1) atom to form a mixture of edge and corner-sharing NSr5In octahedra. The corner-sharing octahedral tilt angles range from 2-57°. is represented by the CIF file [CIF]
data_Sr2InN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.589
_cell_length_b   12.024
_cell_length_c   12.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.159
_symmetry_Int_Tables_number   1
_cell_volume   418.638
_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  0.000  0.463  0.858  1.0
  Sr  Sr1  1  0.000  0.537  0.142  1.0
  Sr  Sr2  1  0.000  0.037  0.358  1.0
  Sr  Sr3  1  0.000  0.963  0.642  1.0
  Sr  Sr4  1  0.000  0.141  0.951  1.0
  Sr  Sr5  1  0.000  0.859  0.049  1.0
  Sr  Sr6  1  0.000  0.359  0.451  1.0
  Sr  Sr7  1  0.000  0.641  0.549  1.0
  In  In8  1  0.000  0.263  0.679  1.0
  In  In9  1  0.000  0.737  0.321  1.0
  In  In10  1  0.000  0.237  0.179  1.0
  In  In11  1  0.000  0.763  0.821  1.0
  N  N12  1  0.000  0.438  0.639  1.0
  N  N13  1  0.000  0.562  0.361  1.0
  N  N14  1  0.000  0.062  0.139  1.0
  N  N15  1  0.000  0.938  0.861  1.0
  N  N16  1  0.000  0.154  0.551  1.0
  N  N17  1  0.000  0.846  0.449  1.0
  N  N18  1  0.000  0.346  0.051  1.0
  N  N19  1  0.000  0.654  0.949  1.0
[/CIF]
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The crystal structure described by Sr2InN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. In(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one In(1) atom to form a mixture of distorted edge and corner-sharing NSr5In octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one In(1) atom to form a mixture of edge and corner-sharing NSr5In octahedra. The corner-sharing octahedral tilt angles range from 2-57°. is represented by the CIF file [CIF]
data_Sr2InN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.589
_cell_length_b   12.024
_cell_length_c   12.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.159
_symmetry_Int_Tables_number   1
_cell_volume   418.638
_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  0.000  0.463  0.858  1.0
  Sr  Sr1  1  0.000  0.537  0.142  1.0
  Sr  Sr2  1  0.000  0.037  0.358  1.0
  Sr  Sr3  1  0.000  0.963  0.642  1.0
  Sr  Sr4  1  0.000  0.141  0.951  1.0
  Sr  Sr5  1  0.000  0.859  0.049  1.0
  Sr  Sr6  1  0.000  0.359  0.451  1.0
  Sr  Sr7  1  0.000  0.641  0.549  1.0
  In  In8  1  0.000  0.263  0.679  1.0
  In  In9  1  0.000  0.737  0.321  1.0
  In  In10  1  0.000  0.237  0.179  1.0
  In  In11  1  0.000  0.763  0.821  1.0
  N  N12  1  0.000  0.438  0.639  1.0
  N  N13  1  0.000  0.562  0.361  1.0
  N  N14  1  0.000  0.062  0.139  1.0
  N  N15  1  0.000  0.938  0.861  1.0
  N  N16  1  0.000  0.154  0.551  1.0
  N  N17  1  0.000  0.846  0.449  1.0
  N  N18  1  0.000  0.346  0.051  1.0
  N  N19  1  0.000  0.654  0.949  1.0
[/CIF]
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