The compound described by LiCaMgSiN3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Mg(1) is bonded to four equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with four equivalent Si(1)N4 tetrahedra and edges with two equivalent Mg(1)N4 tetrahedra. Si(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and  an edgeedge with one Si(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Ca(1), and two equivalent Si(1) atoms to form distorted edge-sharing NLiCa2Si2 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ca(1), two equivalent Mg(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiCaMgSiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.682
_cell_length_b   5.682
_cell_length_c   6.036
_cell_angle_alpha   86.442
_cell_angle_beta   86.442
_cell_angle_gamma   121.086
_symmetry_Int_Tables_number   1
_cell_volume   165.562
_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
  Li  Li0  1  0.675  0.675  0.093  1.0
  Li  Li1  1  0.325  0.325  0.907  1.0
  Ca  Ca2  1  0.680  0.320  0.500  1.0
  Ca  Ca3  1  0.320  0.680  0.500  1.0
  Mg  Mg4  1  0.766  0.234  0.000  1.0
  Mg  Mg5  1  0.234  0.766  0.000  1.0
  Si  Si6  1  0.130  0.130  0.321  1.0
  Si  Si7  1  0.870  0.870  0.679  1.0
  N  N8  1  0.808  0.808  0.390  1.0
  N  N9  1  0.192  0.192  0.610  1.0
  N  N10  1  0.898  0.607  0.810  1.0
  N  N11  1  0.607  0.898  0.810  1.0
  N  N12  1  0.102  0.393  0.190  1.0
  N  N13  1  0.393  0.102  0.190  1.0
[/CIF]
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The compound described by LiCaMgSiN3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Mg(1) is bonded to four equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with four equivalent Si(1)N4 tetrahedra and edges with two equivalent Mg(1)N4 tetrahedra. Si(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and  an edgeedge with one Si(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Ca(1), and two equivalent Si(1) atoms to form distorted edge-sharing NLiCa2Si2 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ca(1), two equivalent Mg(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiCaMgSiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.682
_cell_length_b   5.682
_cell_length_c   6.036
_cell_angle_alpha   86.442
_cell_angle_beta   86.442
_cell_angle_gamma   121.086
_symmetry_Int_Tables_number   1
_cell_volume   165.562
_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
  Li  Li0  1  0.675  0.675  0.093  1.0
  Li  Li1  1  0.325  0.325  0.907  1.0
  Ca  Ca2  1  0.680  0.320  0.500  1.0
  Ca  Ca3  1  0.320  0.680  0.500  1.0
  Mg  Mg4  1  0.766  0.234  0.000  1.0
  Mg  Mg5  1  0.234  0.766  0.000  1.0
  Si  Si6  1  0.130  0.130  0.321  1.0
  Si  Si7  1  0.870  0.870  0.679  1.0
  N  N8  1  0.808  0.808  0.390  1.0
  N  N9  1  0.192  0.192  0.610  1.0
  N  N10  1  0.898  0.607  0.810  1.0
  N  N11  1  0.607  0.898  0.810  1.0
  N  N12  1  0.102  0.393  0.190  1.0
  N  N13  1  0.393  0.102  0.190  1.0
[/CIF]
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