The structure described by Li4Ca3(SiN3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Ca(2)N6 octahedra, corners with three equivalent Li(1)N4 tetrahedra, corners with three equivalent Si(1)N4 tetrahedra,  an edgeedge with one Ca(2)N6 octahedra,  an edgeedge with one Si(1)N4 tetrahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-85°. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted CaN6 octahedra that share corners with four equivalent Si(1)N4 tetrahedra, corners with eight equivalent Li(1)N4 tetrahedra, edges with two equivalent Si(1)N4 tetrahedra, and edges with four equivalent Li(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 two equivalent Ca(2)N6 octahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one Ca(2)N6 octahedra,  an edgeedge with one Si(1)N4 tetrahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-58°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Ca(2), two equivalent Ca(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Li4Ca3(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   5.999
_cell_angle_alpha   89.749
_cell_angle_beta   89.749
_cell_angle_gamma   118.364
_symmetry_Int_Tables_number   1
_cell_volume   170.255
_cell_formula_units_Z   1
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  0.315  0.964  0.126  1.0
  Li  Li1  1  0.964  0.315  0.126  1.0
  Li  Li2  1  0.685  0.036  0.874  1.0
  Li  Li3  1  0.036  0.685  0.874  1.0
  Ca  Ca4  1  0.315  0.685  0.500  1.0
  Ca  Ca5  1  0.685  0.315  0.500  1.0
  Ca  Ca6  1  0.500  0.500  0.000  1.0
  Si  Si7  1  0.119  0.119  0.669  1.0
  Si  Si8  1  0.881  0.881  0.331  1.0
  N  N9  1  0.934  0.635  0.209  1.0
  N  N10  1  0.193  0.193  0.367  1.0
  N  N11  1  0.807  0.807  0.633  1.0
  N  N12  1  0.066  0.365  0.791  1.0
  N  N13  1  0.365  0.066  0.791  1.0
  N  N14  1  0.635  0.934  0.209  1.0
[/CIF]
.
The structure described by Li4Ca3(SiN3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Ca(2)N6 octahedra, corners with three equivalent Li(1)N4 tetrahedra, corners with three equivalent Si(1)N4 tetrahedra,  an edgeedge with one Ca(2)N6 octahedra,  an edgeedge with one Si(1)N4 tetrahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-85°. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted CaN6 octahedra that share corners with four equivalent Si(1)N4 tetrahedra, corners with eight equivalent Li(1)N4 tetrahedra, edges with two equivalent Si(1)N4 tetrahedra, and edges with four equivalent Li(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 two equivalent Ca(2)N6 octahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one Ca(2)N6 octahedra,  an edgeedge with one Si(1)N4 tetrahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-58°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Ca(2), two equivalent Ca(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Li4Ca3(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   5.999
_cell_angle_alpha   89.749
_cell_angle_beta   89.749
_cell_angle_gamma   118.364
_symmetry_Int_Tables_number   1
_cell_volume   170.255
_cell_formula_units_Z   1
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  0.315  0.964  0.126  1.0
  Li  Li1  1  0.964  0.315  0.126  1.0
  Li  Li2  1  0.685  0.036  0.874  1.0
  Li  Li3  1  0.036  0.685  0.874  1.0
  Ca  Ca4  1  0.315  0.685  0.500  1.0
  Ca  Ca5  1  0.685  0.315  0.500  1.0
  Ca  Ca6  1  0.500  0.500  0.000  1.0
  Si  Si7  1  0.119  0.119  0.669  1.0
  Si  Si8  1  0.881  0.881  0.331  1.0
  N  N9  1  0.934  0.635  0.209  1.0
  N  N10  1  0.193  0.193  0.367  1.0
  N  N11  1  0.807  0.807  0.633  1.0
  N  N12  1  0.066  0.365  0.791  1.0
  N  N13  1  0.365  0.066  0.791  1.0
  N  N14  1  0.635  0.934  0.209  1.0
[/CIF]
.