The material structure described by VMn3N3 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Mn site, Mn(2) is bonded in a see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one V(1), one Mn(2), and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn4V trigonal bipyramids. In the second N site, N(2) is bonded to one V(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing NMn4V trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn3VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.825
_cell_length_c   3.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.803
_symmetry_Int_Tables_number   1
_cell_volume   158.851
_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
  Mn  Mn0  1  0.845  0.690  0.250  1.0
  Mn  Mn1  1  0.845  0.156  0.250  1.0
  Mn  Mn2  1  0.307  0.154  0.250  1.0
  Mn  Mn3  1  0.155  0.310  0.750  1.0
  Mn  Mn4  1  0.155  0.844  0.750  1.0
  Mn  Mn5  1  0.693  0.846  0.750  1.0
  V  V6  1  0.665  0.332  0.750  1.0
  V  V7  1  0.335  0.668  0.250  1.0
  N  N8  1  0.824  0.645  0.750  1.0
  N  N9  1  0.824  0.179  0.750  1.0
  N  N10  1  0.353  0.176  0.750  1.0
  N  N11  1  0.176  0.355  0.250  1.0
  N  N12  1  0.176  0.821  0.250  1.0
  N  N13  1  0.647  0.824  0.250  1.0
[/CIF]
.
The material structure described by VMn3N3 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Mn site, Mn(2) is bonded in a see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one V(1), one Mn(2), and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn4V trigonal bipyramids. In the second N site, N(2) is bonded to one V(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing NMn4V trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn3VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.825
_cell_length_c   3.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.803
_symmetry_Int_Tables_number   1
_cell_volume   158.851
_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
  Mn  Mn0  1  0.845  0.690  0.250  1.0
  Mn  Mn1  1  0.845  0.156  0.250  1.0
  Mn  Mn2  1  0.307  0.154  0.250  1.0
  Mn  Mn3  1  0.155  0.310  0.750  1.0
  Mn  Mn4  1  0.155  0.844  0.750  1.0
  Mn  Mn5  1  0.693  0.846  0.750  1.0
  V  V6  1  0.665  0.332  0.750  1.0
  V  V7  1  0.335  0.668  0.250  1.0
  N  N8  1  0.824  0.645  0.750  1.0
  N  N9  1  0.824  0.179  0.750  1.0
  N  N10  1  0.353  0.176  0.750  1.0
  N  N11  1  0.176  0.355  0.250  1.0
  N  N12  1  0.176  0.821  0.250  1.0
  N  N13  1  0.647  0.824  0.250  1.0
[/CIF]
.