The structure described by CsMn2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing MnN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one Mn(1), and one Mn(2) atom. In the third N site, N(2) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.069
_cell_length_b   8.069
_cell_length_c   9.670
_cell_angle_alpha   75.649
_cell_angle_beta   75.649
_cell_angle_gamma   112.645
_symmetry_Int_Tables_number   1
_cell_volume   519.795
_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
  Cs  Cs0  1  0.713  0.287  0.750  1.0
  Cs  Cs1  1  0.287  0.713  0.250  1.0
  Cs  Cs2  1  0.365  0.635  0.750  1.0
  Cs  Cs3  1  0.635  0.365  0.250  1.0
  Mn  Mn4  1  0.865  0.863  0.848  1.0
  Mn  Mn5  1  0.137  0.135  0.652  1.0
  Mn  Mn6  1  0.135  0.137  0.152  1.0
  Mn  Mn7  1  0.863  0.865  0.348  1.0
  Mn  Mn8  1  0.921  0.830  0.580  1.0
  Mn  Mn9  1  0.170  0.079  0.920  1.0
  Mn  Mn10  1  0.079  0.170  0.420  1.0
  Mn  Mn11  1  0.830  0.921  0.080  1.0
  N  N12  1  0.702  0.921  0.953  1.0
  N  N13  1  0.079  0.298  0.547  1.0
  N  N14  1  0.298  0.079  0.047  1.0
  N  N15  1  0.921  0.702  0.453  1.0
  N  N16  1  0.769  0.688  0.774  1.0
  N  N17  1  0.312  0.231  0.726  1.0
  N  N18  1  0.231  0.312  0.226  1.0
  N  N19  1  0.688  0.769  0.274  1.0
  N  N20  1  0.173  0.016  0.521  1.0
  N  N21  1  0.984  0.827  0.979  1.0
  N  N22  1  0.827  0.984  0.479  1.0
  N  N23  1  0.016  0.173  0.021  1.0
[/CIF]
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The structure described by CsMn2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing MnN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one Mn(1), and one Mn(2) atom. In the third N site, N(2) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.069
_cell_length_b   8.069
_cell_length_c   9.670
_cell_angle_alpha   75.649
_cell_angle_beta   75.649
_cell_angle_gamma   112.645
_symmetry_Int_Tables_number   1
_cell_volume   519.795
_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
  Cs  Cs0  1  0.713  0.287  0.750  1.0
  Cs  Cs1  1  0.287  0.713  0.250  1.0
  Cs  Cs2  1  0.365  0.635  0.750  1.0
  Cs  Cs3  1  0.635  0.365  0.250  1.0
  Mn  Mn4  1  0.865  0.863  0.848  1.0
  Mn  Mn5  1  0.137  0.135  0.652  1.0
  Mn  Mn6  1  0.135  0.137  0.152  1.0
  Mn  Mn7  1  0.863  0.865  0.348  1.0
  Mn  Mn8  1  0.921  0.830  0.580  1.0
  Mn  Mn9  1  0.170  0.079  0.920  1.0
  Mn  Mn10  1  0.079  0.170  0.420  1.0
  Mn  Mn11  1  0.830  0.921  0.080  1.0
  N  N12  1  0.702  0.921  0.953  1.0
  N  N13  1  0.079  0.298  0.547  1.0
  N  N14  1  0.298  0.079  0.047  1.0
  N  N15  1  0.921  0.702  0.453  1.0
  N  N16  1  0.769  0.688  0.774  1.0
  N  N17  1  0.312  0.231  0.726  1.0
  N  N18  1  0.231  0.312  0.226  1.0
  N  N19  1  0.688  0.769  0.274  1.0
  N  N20  1  0.173  0.016  0.521  1.0
  N  N21  1  0.984  0.827  0.979  1.0
  N  N22  1  0.827  0.984  0.479  1.0
  N  N23  1  0.016  0.173  0.021  1.0
[/CIF]
.