The compound described by Y2Mn3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) 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(2) and two equivalent N(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Mn(2), and two equivalent Mn(1) atoms. In the second N site, N(2) is bonded to three equivalent Y(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NY3Mn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   7.119
_cell_length_c   6.528
_cell_angle_alpha   90.000
_cell_angle_beta   77.772
_cell_angle_gamma   125.403
_symmetry_Int_Tables_number   1
_cell_volume   224.773
_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
  Y  Y0  1  0.584  0.189  0.746  1.0
  Y  Y1  1  0.416  0.605  0.754  1.0
  Y  Y2  1  0.416  0.811  0.254  1.0
  Y  Y3  1  0.584  0.395  0.246  1.0
  Mn  Mn4  1  0.055  0.897  0.081  1.0
  Mn  Mn5  1  0.945  0.842  0.419  1.0
  Mn  Mn6  1  0.945  0.103  0.919  1.0
  Mn  Mn7  1  0.055  0.158  0.581  1.0
  Mn  Mn8  1  0.000  0.758  0.750  1.0
  Mn  Mn9  1  0.000  0.242  0.250  1.0
  N  N10  1  0.257  0.030  0.526  1.0
  N  N11  1  0.743  0.773  0.974  1.0
  N  N12  1  0.743  0.970  0.474  1.0
  N  N13  1  0.257  0.227  0.026  1.0
  N  N14  1  0.765  0.208  0.072  1.0
  N  N15  1  0.235  0.443  0.428  1.0
  N  N16  1  0.235  0.792  0.928  1.0
  N  N17  1  0.765  0.557  0.572  1.0
[/CIF]
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The compound described by Y2Mn3N4 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) 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(2) and two equivalent N(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to three equivalent Y(1), one Mn(2), and two equivalent Mn(1) atoms. In the second N site, N(2) is bonded to three equivalent Y(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing NY3Mn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   7.119
_cell_length_c   6.528
_cell_angle_alpha   90.000
_cell_angle_beta   77.772
_cell_angle_gamma   125.403
_symmetry_Int_Tables_number   1
_cell_volume   224.773
_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
  Y  Y0  1  0.584  0.189  0.746  1.0
  Y  Y1  1  0.416  0.605  0.754  1.0
  Y  Y2  1  0.416  0.811  0.254  1.0
  Y  Y3  1  0.584  0.395  0.246  1.0
  Mn  Mn4  1  0.055  0.897  0.081  1.0
  Mn  Mn5  1  0.945  0.842  0.419  1.0
  Mn  Mn6  1  0.945  0.103  0.919  1.0
  Mn  Mn7  1  0.055  0.158  0.581  1.0
  Mn  Mn8  1  0.000  0.758  0.750  1.0
  Mn  Mn9  1  0.000  0.242  0.250  1.0
  N  N10  1  0.257  0.030  0.526  1.0
  N  N11  1  0.743  0.773  0.974  1.0
  N  N12  1  0.743  0.970  0.474  1.0
  N  N13  1  0.257  0.227  0.026  1.0
  N  N14  1  0.765  0.208  0.072  1.0
  N  N15  1  0.235  0.443  0.428  1.0
  N  N16  1  0.235  0.792  0.928  1.0
  N  N17  1  0.765  0.557  0.572  1.0
[/CIF]
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