The material described by Mn4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted water-like geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Mn(1) and three equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   10.680
_cell_length_c   9.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.220
_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
  Mn  Mn0  1  0.655  0.250  0.942  1.0
  Mn  Mn1  1  0.155  0.250  0.558  1.0
  Mn  Mn2  1  0.345  0.750  0.058  1.0
  Mn  Mn3  1  0.845  0.750  0.442  1.0
  Mn  Mn4  1  0.808  0.250  0.427  1.0
  Mn  Mn5  1  0.308  0.250  0.073  1.0
  Mn  Mn6  1  0.192  0.750  0.573  1.0
  Mn  Mn7  1  0.692  0.750  0.927  1.0
  Mn  Mn8  1  0.696  0.492  0.060  1.0
  Mn  Mn9  1  0.196  0.008  0.440  1.0
  Mn  Mn10  1  0.304  0.992  0.940  1.0
  Mn  Mn11  1  0.804  0.508  0.560  1.0
  Mn  Mn12  1  0.304  0.508  0.940  1.0
  Mn  Mn13  1  0.804  0.992  0.560  1.0
  Mn  Mn14  1  0.696  0.008  0.060  1.0
  Mn  Mn15  1  0.196  0.492  0.440  1.0
  Te  Te16  1  0.910  0.250  0.156  1.0
  Te  Te17  1  0.410  0.250  0.344  1.0
  Te  Te18  1  0.090  0.750  0.844  1.0
  Te  Te19  1  0.590  0.750  0.656  1.0
  Te  Te20  1  0.574  0.571  0.330  1.0
  Te  Te21  1  0.074  0.929  0.170  1.0
  Te  Te22  1  0.426  0.071  0.670  1.0
  Te  Te23  1  0.926  0.429  0.830  1.0
  Te  Te24  1  0.426  0.429  0.670  1.0
  Te  Te25  1  0.926  0.071  0.830  1.0
  Te  Te26  1  0.574  0.929  0.330  1.0
  Te  Te27  1  0.074  0.571  0.170  1.0
  N  N28  1  0.527  0.620  0.984  1.0
  N  N29  1  0.027  0.880  0.516  1.0
  N  N30  1  0.473  0.120  0.016  1.0
  N  N31  1  0.973  0.380  0.484  1.0
  N  N32  1  0.473  0.380  0.016  1.0
  N  N33  1  0.973  0.120  0.484  1.0
  N  N34  1  0.527  0.880  0.984  1.0
  N  N35  1  0.027  0.620  0.516  1.0
[/CIF]
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The material described by Mn4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and two equivalent Te(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted water-like geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Mn(1) and three equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Mn4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   10.680
_cell_length_c   9.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.220
_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
  Mn  Mn0  1  0.655  0.250  0.942  1.0
  Mn  Mn1  1  0.155  0.250  0.558  1.0
  Mn  Mn2  1  0.345  0.750  0.058  1.0
  Mn  Mn3  1  0.845  0.750  0.442  1.0
  Mn  Mn4  1  0.808  0.250  0.427  1.0
  Mn  Mn5  1  0.308  0.250  0.073  1.0
  Mn  Mn6  1  0.192  0.750  0.573  1.0
  Mn  Mn7  1  0.692  0.750  0.927  1.0
  Mn  Mn8  1  0.696  0.492  0.060  1.0
  Mn  Mn9  1  0.196  0.008  0.440  1.0
  Mn  Mn10  1  0.304  0.992  0.940  1.0
  Mn  Mn11  1  0.804  0.508  0.560  1.0
  Mn  Mn12  1  0.304  0.508  0.940  1.0
  Mn  Mn13  1  0.804  0.992  0.560  1.0
  Mn  Mn14  1  0.696  0.008  0.060  1.0
  Mn  Mn15  1  0.196  0.492  0.440  1.0
  Te  Te16  1  0.910  0.250  0.156  1.0
  Te  Te17  1  0.410  0.250  0.344  1.0
  Te  Te18  1  0.090  0.750  0.844  1.0
  Te  Te19  1  0.590  0.750  0.656  1.0
  Te  Te20  1  0.574  0.571  0.330  1.0
  Te  Te21  1  0.074  0.929  0.170  1.0
  Te  Te22  1  0.426  0.071  0.670  1.0
  Te  Te23  1  0.926  0.429  0.830  1.0
  Te  Te24  1  0.426  0.429  0.670  1.0
  Te  Te25  1  0.926  0.071  0.830  1.0
  Te  Te26  1  0.574  0.929  0.330  1.0
  Te  Te27  1  0.074  0.571  0.170  1.0
  N  N28  1  0.527  0.620  0.984  1.0
  N  N29  1  0.027  0.880  0.516  1.0
  N  N30  1  0.473  0.120  0.016  1.0
  N  N31  1  0.973  0.380  0.484  1.0
  N  N32  1  0.473  0.380  0.016  1.0
  N  N33  1  0.973  0.120  0.484  1.0
  N  N34  1  0.527  0.880  0.984  1.0
  N  N35  1  0.027  0.620  0.516  1.0
[/CIF]
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