The compound described by Ca2InN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one In(1) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in an L-shaped geometry to six equivalent In(1) and two equivalent N(1) atoms. In(1) is bonded in a 11-coordinate geometry to one Ca(1), six equivalent Ca(2), and four equivalent In(1) atoms. N(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2InN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.503
_cell_length_b   4.975
_cell_length_c   10.297
_cell_angle_alpha   90.000
_cell_angle_beta   99.793
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.796
_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
  Ca  Ca0  1  0.781  0.250  0.562  1.0
  Ca  Ca1  1  0.219  0.750  0.438  1.0
  Ca  Ca2  1  0.621  0.250  0.242  1.0
  Ca  Ca3  1  0.379  0.750  0.758  1.0
  In  In4  1  0.962  0.250  0.924  1.0
  In  In5  1  0.038  0.750  0.076  1.0
  N  N6  1  0.199  0.250  0.399  1.0
  N  N7  1  0.801  0.750  0.601  1.0
[/CIF]
.
The compound described by Ca2InN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one In(1) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in an L-shaped geometry to six equivalent In(1) and two equivalent N(1) atoms. In(1) is bonded in a 11-coordinate geometry to one Ca(1), six equivalent Ca(2), and four equivalent In(1) atoms. N(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2InN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.503
_cell_length_b   4.975
_cell_length_c   10.297
_cell_angle_alpha   90.000
_cell_angle_beta   99.793
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.796
_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
  Ca  Ca0  1  0.781  0.250  0.562  1.0
  Ca  Ca1  1  0.219  0.750  0.438  1.0
  Ca  Ca2  1  0.621  0.250  0.242  1.0
  Ca  Ca3  1  0.379  0.750  0.758  1.0
  In  In4  1  0.962  0.250  0.924  1.0
  In  In5  1  0.038  0.750  0.076  1.0
  N  N6  1  0.199  0.250  0.399  1.0
  N  N7  1  0.801  0.750  0.601  1.0
[/CIF]
.