The crystal structure described by U2MnN3 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 7-coordinate geometry to two equivalent N(2) and five equivalent N(1) atoms. Mn(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent U(1) and two equivalent Mn(1) atoms to form NU4Mn2 octahedra that share corners with two equivalent N(2)U4Mn2 octahedra, corners with twelve equivalent N(1)U5Mn octahedra, edges with two equivalent N(2)U4Mn2 octahedra, and faces with four equivalent N(1)U5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second N site, N(1) is bonded to five equivalent U(1) and one Mn(1) atom to form distorted NU5Mn octahedra that share corners with five equivalent N(1)U5Mn octahedra, corners with six equivalent N(2)U4Mn2 octahedra, edges with eight equivalent N(1)U5Mn octahedra, and faces with two equivalent N(2)U4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF card [CIF]
data_U2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.354
_cell_length_b   3.804
_cell_length_c   6.585
_cell_angle_alpha   106.803
_cell_angle_beta   104.756
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   77.522
_cell_formula_units_Z   1
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
  U  U0  1  0.355  0.355  0.709  1.0
  U  U1  1  0.645  0.645  0.291  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  N  N3  1  0.167  0.167  0.334  1.0
  N  N4  1  0.833  0.833  0.666  1.0
  N  N5  1  0.000  0.500  1.000  1.0
[/CIF]
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The crystal structure described by U2MnN3 crystallizes in the orthorhombic Immm space group. U(1) is bonded in a 7-coordinate geometry to two equivalent N(2) and five equivalent N(1) atoms. Mn(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to four equivalent U(1) and two equivalent Mn(1) atoms to form NU4Mn2 octahedra that share corners with two equivalent N(2)U4Mn2 octahedra, corners with twelve equivalent N(1)U5Mn octahedra, edges with two equivalent N(2)U4Mn2 octahedra, and faces with four equivalent N(1)U5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second N site, N(1) is bonded to five equivalent U(1) and one Mn(1) atom to form distorted NU5Mn octahedra that share corners with five equivalent N(1)U5Mn octahedra, corners with six equivalent N(2)U4Mn2 octahedra, edges with eight equivalent N(1)U5Mn octahedra, and faces with two equivalent N(2)U4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. is represented by the CIF card [CIF]
data_U2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.354
_cell_length_b   3.804
_cell_length_c   6.585
_cell_angle_alpha   106.803
_cell_angle_beta   104.756
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   77.522
_cell_formula_units_Z   1
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
  U  U0  1  0.355  0.355  0.709  1.0
  U  U1  1  0.645  0.645  0.291  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  N  N3  1  0.167  0.167  0.334  1.0
  N  N4  1  0.833  0.833  0.666  1.0
  N  N5  1  0.000  0.500  1.000  1.0
[/CIF]
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