The structure described by Ca3(VN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing VN4 tetrahedra. In the second V site, V(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing VN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one V(1), and one V(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(VN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.649
_cell_length_b   9.888
_cell_length_c   9.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.976
_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  0.615  0.155  0.418  1.0
  Ca  Ca1  1  0.885  0.845  0.418  1.0
  Ca  Ca2  1  0.615  0.345  0.082  1.0
  Ca  Ca3  1  0.885  0.655  0.082  1.0
  Ca  Ca4  1  0.385  0.845  0.582  1.0
  Ca  Ca5  1  0.115  0.155  0.582  1.0
  Ca  Ca6  1  0.385  0.655  0.918  1.0
  Ca  Ca7  1  0.115  0.345  0.918  1.0
  Ca  Ca8  1  0.750  0.500  0.403  1.0
  Ca  Ca9  1  0.750  0.000  0.097  1.0
  Ca  Ca10  1  0.250  0.500  0.597  1.0
  Ca  Ca11  1  0.250  0.000  0.903  1.0
  V  V12  1  0.750  0.500  0.736  1.0
  V  V13  1  0.750  0.000  0.764  1.0
  V  V14  1  0.250  0.500  0.264  1.0
  V  V15  1  0.250  0.000  0.236  1.0
  V  V16  1  0.651  0.250  0.750  1.0
  V  V17  1  0.849  0.750  0.750  1.0
  V  V18  1  0.349  0.750  0.250  1.0
  V  V19  1  0.151  0.250  0.250  1.0
  N  N20  1  0.863  0.352  0.624  1.0
  N  N21  1  0.637  0.648  0.624  1.0
  N  N22  1  0.863  0.148  0.876  1.0
  N  N23  1  0.637  0.852  0.876  1.0
  N  N24  1  0.137  0.648  0.376  1.0
  N  N25  1  0.363  0.352  0.376  1.0
  N  N26  1  0.137  0.852  0.124  1.0
  N  N27  1  0.363  0.148  0.124  1.0
  N  N28  1  0.502  0.413  0.837  1.0
  N  N29  1  0.998  0.587  0.837  1.0
  N  N30  1  0.502  0.087  0.663  1.0
  N  N31  1  0.998  0.913  0.663  1.0
  N  N32  1  0.498  0.587  0.163  1.0
  N  N33  1  0.002  0.413  0.163  1.0
  N  N34  1  0.498  0.913  0.337  1.0
  N  N35  1  0.002  0.087  0.337  1.0
[/CIF]
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The structure described by Ca3(VN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing VN4 tetrahedra. In the second V site, V(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing VN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), one V(1), and one V(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ca(2), three equivalent Ca(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(VN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.649
_cell_length_b   9.888
_cell_length_c   9.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   513.976
_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  0.615  0.155  0.418  1.0
  Ca  Ca1  1  0.885  0.845  0.418  1.0
  Ca  Ca2  1  0.615  0.345  0.082  1.0
  Ca  Ca3  1  0.885  0.655  0.082  1.0
  Ca  Ca4  1  0.385  0.845  0.582  1.0
  Ca  Ca5  1  0.115  0.155  0.582  1.0
  Ca  Ca6  1  0.385  0.655  0.918  1.0
  Ca  Ca7  1  0.115  0.345  0.918  1.0
  Ca  Ca8  1  0.750  0.500  0.403  1.0
  Ca  Ca9  1  0.750  0.000  0.097  1.0
  Ca  Ca10  1  0.250  0.500  0.597  1.0
  Ca  Ca11  1  0.250  0.000  0.903  1.0
  V  V12  1  0.750  0.500  0.736  1.0
  V  V13  1  0.750  0.000  0.764  1.0
  V  V14  1  0.250  0.500  0.264  1.0
  V  V15  1  0.250  0.000  0.236  1.0
  V  V16  1  0.651  0.250  0.750  1.0
  V  V17  1  0.849  0.750  0.750  1.0
  V  V18  1  0.349  0.750  0.250  1.0
  V  V19  1  0.151  0.250  0.250  1.0
  N  N20  1  0.863  0.352  0.624  1.0
  N  N21  1  0.637  0.648  0.624  1.0
  N  N22  1  0.863  0.148  0.876  1.0
  N  N23  1  0.637  0.852  0.876  1.0
  N  N24  1  0.137  0.648  0.376  1.0
  N  N25  1  0.363  0.352  0.376  1.0
  N  N26  1  0.137  0.852  0.124  1.0
  N  N27  1  0.363  0.148  0.124  1.0
  N  N28  1  0.502  0.413  0.837  1.0
  N  N29  1  0.998  0.587  0.837  1.0
  N  N30  1  0.502  0.087  0.663  1.0
  N  N31  1  0.998  0.913  0.663  1.0
  N  N32  1  0.498  0.587  0.163  1.0
  N  N33  1  0.002  0.413  0.163  1.0
  N  N34  1  0.498  0.913  0.337  1.0
  N  N35  1  0.002  0.087  0.337  1.0
[/CIF]
.