The compound described by MnZn5N4 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a water-like geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NMnZn3 tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.205
_cell_length_b   5.975
_cell_length_c   4.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.764
_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  0.750  0.250  0.783  1.0
  Mn  Mn1  1  0.250  0.750  0.217  1.0
  Zn  Zn2  1  0.602  0.521  0.316  1.0
  Zn  Zn3  1  0.898  0.521  0.316  1.0
  Zn  Zn4  1  0.602  0.979  0.316  1.0
  Zn  Zn5  1  0.898  0.979  0.316  1.0
  Zn  Zn6  1  0.398  0.479  0.684  1.0
  Zn  Zn7  1  0.102  0.479  0.684  1.0
  Zn  Zn8  1  0.398  0.021  0.684  1.0
  Zn  Zn9  1  0.102  0.021  0.684  1.0
  Zn  Zn10  1  0.750  0.750  0.750  1.0
  Zn  Zn11  1  0.250  0.250  0.250  1.0
  N  N12  1  0.750  0.006  0.017  1.0
  N  N13  1  0.750  0.494  0.017  1.0
  N  N14  1  0.250  0.994  0.983  1.0
  N  N15  1  0.250  0.506  0.983  1.0
  N  N16  1  0.437  0.750  0.414  1.0
  N  N17  1  0.063  0.750  0.414  1.0
  N  N18  1  0.563  0.250  0.586  1.0
  N  N19  1  0.937  0.250  0.586  1.0
[/CIF]
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The compound described by MnZn5N4 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a water-like geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NMnZn3 tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.205
_cell_length_b   5.975
_cell_length_c   4.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.764
_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  0.750  0.250  0.783  1.0
  Mn  Mn1  1  0.250  0.750  0.217  1.0
  Zn  Zn2  1  0.602  0.521  0.316  1.0
  Zn  Zn3  1  0.898  0.521  0.316  1.0
  Zn  Zn4  1  0.602  0.979  0.316  1.0
  Zn  Zn5  1  0.898  0.979  0.316  1.0
  Zn  Zn6  1  0.398  0.479  0.684  1.0
  Zn  Zn7  1  0.102  0.479  0.684  1.0
  Zn  Zn8  1  0.398  0.021  0.684  1.0
  Zn  Zn9  1  0.102  0.021  0.684  1.0
  Zn  Zn10  1  0.750  0.750  0.750  1.0
  Zn  Zn11  1  0.250  0.250  0.250  1.0
  N  N12  1  0.750  0.006  0.017  1.0
  N  N13  1  0.750  0.494  0.017  1.0
  N  N14  1  0.250  0.994  0.983  1.0
  N  N15  1  0.250  0.506  0.983  1.0
  N  N16  1  0.437  0.750  0.414  1.0
  N  N17  1  0.063  0.750  0.414  1.0
  N  N18  1  0.563  0.250  0.586  1.0
  N  N19  1  0.937  0.250  0.586  1.0
[/CIF]
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