The structure described by Ca(GaN)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in an L-shaped geometry to one N(1) and one N(2) atom. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing GaN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(1), one Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing NCa2Ga3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Ca(1), one Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing NCa2Ga3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(GaN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   9.852
_cell_length_c   5.712
_cell_angle_alpha   90.000
_cell_angle_beta   105.722
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.829
_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
  Ca  Ca0  1  0.944  0.127  0.767  1.0
  Ca  Ca1  1  0.056  0.627  0.733  1.0
  Ca  Ca2  1  0.056  0.873  0.233  1.0
  Ca  Ca3  1  0.944  0.373  0.267  1.0
  Ga  Ga4  1  0.328  0.377  0.893  1.0
  Ga  Ga5  1  0.672  0.877  0.607  1.0
  Ga  Ga6  1  0.672  0.623  0.107  1.0
  Ga  Ga7  1  0.328  0.123  0.393  1.0
  Ga  Ga8  1  0.580  0.369  0.555  1.0
  Ga  Ga9  1  0.420  0.869  0.945  1.0
  Ga  Ga10  1  0.420  0.631  0.445  1.0
  Ga  Ga11  1  0.580  0.131  0.055  1.0
  N  N12  1  0.354  0.801  0.602  1.0
  N  N13  1  0.646  0.301  0.898  1.0
  N  N14  1  0.646  0.199  0.398  1.0
  N  N15  1  0.354  0.699  0.102  1.0
  N  N16  1  0.282  0.469  0.560  1.0
  N  N17  1  0.718  0.969  0.940  1.0
  N  N18  1  0.718  0.531  0.440  1.0
  N  N19  1  0.282  0.031  0.060  1.0
[/CIF]
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The structure described by Ca(GaN)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in an L-shaped geometry to one N(1) and one N(2) atom. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing GaN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(1), one Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing NCa2Ga3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Ca(1), one Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted corner and edge-sharing NCa2Ga3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(GaN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   9.852
_cell_length_c   5.712
_cell_angle_alpha   90.000
_cell_angle_beta   105.722
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.829
_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
  Ca  Ca0  1  0.944  0.127  0.767  1.0
  Ca  Ca1  1  0.056  0.627  0.733  1.0
  Ca  Ca2  1  0.056  0.873  0.233  1.0
  Ca  Ca3  1  0.944  0.373  0.267  1.0
  Ga  Ga4  1  0.328  0.377  0.893  1.0
  Ga  Ga5  1  0.672  0.877  0.607  1.0
  Ga  Ga6  1  0.672  0.623  0.107  1.0
  Ga  Ga7  1  0.328  0.123  0.393  1.0
  Ga  Ga8  1  0.580  0.369  0.555  1.0
  Ga  Ga9  1  0.420  0.869  0.945  1.0
  Ga  Ga10  1  0.420  0.631  0.445  1.0
  Ga  Ga11  1  0.580  0.131  0.055  1.0
  N  N12  1  0.354  0.801  0.602  1.0
  N  N13  1  0.646  0.301  0.898  1.0
  N  N14  1  0.646  0.199  0.398  1.0
  N  N15  1  0.354  0.699  0.102  1.0
  N  N16  1  0.282  0.469  0.560  1.0
  N  N17  1  0.718  0.969  0.940  1.0
  N  N18  1  0.718  0.531  0.440  1.0
  N  N19  1  0.282  0.031  0.060  1.0
[/CIF]
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