The material structure described by MgCuN crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. Cu(1) is bonded in a water-like geometry to two equivalent N(1) atoms. N(1) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing NMg4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   3.281
_cell_length_c   5.518
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.040
_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
  Mg  Mg0  1  0.649  0.250  0.416  1.0
  Mg  Mg1  1  0.149  0.250  0.084  1.0
  Mg  Mg2  1  0.351  0.750  0.584  1.0
  Mg  Mg3  1  0.851  0.750  0.916  1.0
  Cu  Cu4  1  0.567  0.250  0.871  1.0
  Cu  Cu5  1  0.067  0.250  0.629  1.0
  Cu  Cu6  1  0.433  0.750  0.129  1.0
  Cu  Cu7  1  0.933  0.750  0.371  1.0
  N  N8  1  0.869  0.250  0.180  1.0
  N  N9  1  0.369  0.250  0.320  1.0
  N  N10  1  0.131  0.750  0.820  1.0
  N  N11  1  0.631  0.750  0.680  1.0
[/CIF]
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The material structure described by MgCuN crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. Cu(1) is bonded in a water-like geometry to two equivalent N(1) atoms. N(1) is bonded to four equivalent Mg(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing NMg4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   3.281
_cell_length_c   5.518
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.040
_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
  Mg  Mg0  1  0.649  0.250  0.416  1.0
  Mg  Mg1  1  0.149  0.250  0.084  1.0
  Mg  Mg2  1  0.351  0.750  0.584  1.0
  Mg  Mg3  1  0.851  0.750  0.916  1.0
  Cu  Cu4  1  0.567  0.250  0.871  1.0
  Cu  Cu5  1  0.067  0.250  0.629  1.0
  Cu  Cu6  1  0.433  0.750  0.129  1.0
  Cu  Cu7  1  0.933  0.750  0.371  1.0
  N  N8  1  0.869  0.250  0.180  1.0
  N  N9  1  0.369  0.250  0.320  1.0
  N  N10  1  0.131  0.750  0.820  1.0
  N  N11  1  0.631  0.750  0.680  1.0
[/CIF]
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