The compound described by Mg2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing MgN5 square pyramids. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), and one Co(1) atom to form NMg5Co octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with three equivalent N(1)Mg5Co octahedra, and edges with five equivalent N(2)Mg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-36°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NMg4Co2 octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with two equivalent N(2)Mg4Co2 octahedra, and edges with five equivalent N(1)Mg5Co octahedra. The corner-sharing octahedral tilt angles range from 1-36°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.469
_cell_length_c   6.255
_cell_angle_alpha   63.423
_cell_angle_beta   63.423
_cell_angle_gamma   46.082
_symmetry_Int_Tables_number   1
_cell_volume   117.744
_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
  Mg  Mg0  1  0.321  0.321  0.590  1.0
  Mg  Mg1  1  0.679  0.679  0.410  1.0
  Mg  Mg2  1  0.969  0.969  0.747  1.0
  Mg  Mg3  1  0.031  0.031  0.253  1.0
  Co  Co4  1  0.627  0.627  0.881  1.0
  Co  Co5  1  0.373  0.373  0.119  1.0
  N  N6  1  0.819  0.819  0.606  1.0
  N  N7  1  0.181  0.181  0.394  1.0
  N  N8  1  0.525  0.525  0.213  1.0
  N  N9  1  0.475  0.475  0.787  1.0
[/CIF]
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The compound described by Mg2CoN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing MgN5 square pyramids. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(2), three equivalent Mg(1), and one Co(1) atom to form NMg5Co octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with three equivalent N(1)Mg5Co octahedra, and edges with five equivalent N(2)Mg4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-36°. In the second N site, N(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NMg4Co2 octahedra that share corners with two equivalent N(2)Mg4Co2 octahedra, corners with two equivalent N(1)Mg5Co octahedra, edges with two equivalent N(2)Mg4Co2 octahedra, and edges with five equivalent N(1)Mg5Co octahedra. The corner-sharing octahedral tilt angles range from 1-36°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.469
_cell_length_b   5.469
_cell_length_c   6.255
_cell_angle_alpha   63.423
_cell_angle_beta   63.423
_cell_angle_gamma   46.082
_symmetry_Int_Tables_number   1
_cell_volume   117.744
_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
  Mg  Mg0  1  0.321  0.321  0.590  1.0
  Mg  Mg1  1  0.679  0.679  0.410  1.0
  Mg  Mg2  1  0.969  0.969  0.747  1.0
  Mg  Mg3  1  0.031  0.031  0.253  1.0
  Co  Co4  1  0.627  0.627  0.881  1.0
  Co  Co5  1  0.373  0.373  0.119  1.0
  N  N6  1  0.819  0.819  0.606  1.0
  N  N7  1  0.181  0.181  0.394  1.0
  N  N8  1  0.525  0.525  0.213  1.0
  N  N9  1  0.475  0.475  0.787  1.0
[/CIF]
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