The material described by NdSeO crystallizes in the orthorhombic Cmce space group. Nd(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded to four equivalent Nd(1) and one Se(1) atom to form distorted SeNd4Se trigonal bipyramids that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with six equivalent Se(1)Nd4Se trigonal bipyramids. O(1) is bonded to four equivalent Nd(1) atoms to form distorted ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent Se(1)Nd4Se trigonal bipyramids, edges with four equivalent O(1)Nd4 tetrahedra, and edges with two equivalent Se(1)Nd4Se trigonal bipyramids. is represented by the CIF file [CIF]
data_NdSeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.290
_cell_length_b   7.290
_cell_length_c   5.995
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.383
_symmetry_Int_Tables_number   1
_cell_volume   239.058
_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
  Nd  Nd0  1  0.332  0.668  0.000  1.0
  Nd  Nd1  1  0.168  0.832  0.500  1.0
  Nd  Nd2  1  0.832  0.168  0.500  1.0
  Nd  Nd3  1  0.668  0.332  0.000  1.0
  Se  Se4  1  0.860  0.860  0.859  1.0
  Se  Se5  1  0.360  0.360  0.641  1.0
  Se  Se6  1  0.140  0.140  0.141  1.0
  Se  Se7  1  0.640  0.640  0.359  1.0
  O  O8  1  0.494  0.994  0.750  1.0
  O  O9  1  0.006  0.506  0.250  1.0
  O  O10  1  0.506  0.006  0.250  1.0
  O  O11  1  0.994  0.494  0.750  1.0
[/CIF]
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The material described by NdSeO crystallizes in the orthorhombic Cmce space group. Nd(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. Se(1) is bonded to four equivalent Nd(1) and one Se(1) atom to form distorted SeNd4Se trigonal bipyramids that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with six equivalent Se(1)Nd4Se trigonal bipyramids. O(1) is bonded to four equivalent Nd(1) atoms to form distorted ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with twelve equivalent Se(1)Nd4Se trigonal bipyramids, edges with four equivalent O(1)Nd4 tetrahedra, and edges with two equivalent Se(1)Nd4Se trigonal bipyramids. is represented by the CIF file [CIF]
data_NdSeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.290
_cell_length_b   7.290
_cell_length_c   5.995
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.383
_symmetry_Int_Tables_number   1
_cell_volume   239.058
_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
  Nd  Nd0  1  0.332  0.668  0.000  1.0
  Nd  Nd1  1  0.168  0.832  0.500  1.0
  Nd  Nd2  1  0.832  0.168  0.500  1.0
  Nd  Nd3  1  0.668  0.332  0.000  1.0
  Se  Se4  1  0.860  0.860  0.859  1.0
  Se  Se5  1  0.360  0.360  0.641  1.0
  Se  Se6  1  0.140  0.140  0.141  1.0
  Se  Se7  1  0.640  0.640  0.359  1.0
  O  O8  1  0.494  0.994  0.750  1.0
  O  O9  1  0.006  0.506  0.250  1.0
  O  O10  1  0.506  0.006  0.250  1.0
  O  O11  1  0.994  0.494  0.750  1.0
[/CIF]
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