The structure described by Ca2VN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing VN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Ca2VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.911
_cell_length_c   11.614
_cell_angle_alpha   88.952
_cell_angle_beta   88.952
_cell_angle_gamma   123.531
_symmetry_Int_Tables_number   1
_cell_volume   337.958
_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  0.616  0.841  0.077  1.0
  Ca  Ca1  1  0.463  0.057  0.352  1.0
  Ca  Ca2  1  0.057  0.463  0.852  1.0
  Ca  Ca3  1  0.537  0.943  0.648  1.0
  Ca  Ca4  1  0.384  0.159  0.923  1.0
  Ca  Ca5  1  0.841  0.616  0.577  1.0
  Ca  Ca6  1  0.159  0.384  0.423  1.0
  Ca  Ca7  1  0.943  0.537  0.148  1.0
  V  V8  1  0.767  0.766  0.838  1.0
  V  V9  1  0.234  0.233  0.662  1.0
  V  V10  1  0.233  0.234  0.162  1.0
  V  V11  1  0.766  0.767  0.338  1.0
  N  N12  1  0.089  0.911  0.750  1.0
  N  N13  1  0.911  0.089  0.250  1.0
  N  N14  1  0.506  0.494  0.750  1.0
  N  N15  1  0.494  0.506  0.250  1.0
  N  N16  1  0.340  0.014  0.129  1.0
  N  N17  1  0.986  0.660  0.371  1.0
  N  N18  1  0.660  0.986  0.871  1.0
  N  N19  1  0.014  0.340  0.629  1.0
  N  N20  1  0.809  0.623  0.962  1.0
  N  N21  1  0.623  0.809  0.462  1.0
  N  N22  1  0.191  0.377  0.038  1.0
  N  N23  1  0.377  0.191  0.538  1.0
[/CIF]
.
The structure described by Ca2VN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing VN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent V(1) atoms. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Ca2VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.911
_cell_length_c   11.614
_cell_angle_alpha   88.952
_cell_angle_beta   88.952
_cell_angle_gamma   123.531
_symmetry_Int_Tables_number   1
_cell_volume   337.958
_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  0.616  0.841  0.077  1.0
  Ca  Ca1  1  0.463  0.057  0.352  1.0
  Ca  Ca2  1  0.057  0.463  0.852  1.0
  Ca  Ca3  1  0.537  0.943  0.648  1.0
  Ca  Ca4  1  0.384  0.159  0.923  1.0
  Ca  Ca5  1  0.841  0.616  0.577  1.0
  Ca  Ca6  1  0.159  0.384  0.423  1.0
  Ca  Ca7  1  0.943  0.537  0.148  1.0
  V  V8  1  0.767  0.766  0.838  1.0
  V  V9  1  0.234  0.233  0.662  1.0
  V  V10  1  0.233  0.234  0.162  1.0
  V  V11  1  0.766  0.767  0.338  1.0
  N  N12  1  0.089  0.911  0.750  1.0
  N  N13  1  0.911  0.089  0.250  1.0
  N  N14  1  0.506  0.494  0.750  1.0
  N  N15  1  0.494  0.506  0.250  1.0
  N  N16  1  0.340  0.014  0.129  1.0
  N  N17  1  0.986  0.660  0.371  1.0
  N  N18  1  0.660  0.986  0.871  1.0
  N  N19  1  0.014  0.340  0.629  1.0
  N  N20  1  0.809  0.623  0.962  1.0
  N  N21  1  0.623  0.809  0.462  1.0
  N  N22  1  0.191  0.377  0.038  1.0
  N  N23  1  0.377  0.191  0.538  1.0
[/CIF]
.