The material described by NpCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Np(1) is bonded in a 4-coordinate geometry to four equivalent P(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent P(1) atoms to form a mixture of corner and edge-sharing CuP4 tetrahedra. P(1) is bonded in a 8-coordinate geometry to four equivalent Np(1) and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Np(1) atoms to form a mixture of corner and edge-sharing ONp4 tetrahedra. is represented by the CIF file [CIF]
data_NpCuPO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.797
_cell_length_b   3.797
_cell_length_c   8.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.698
_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
  Np  Np0  1  0.000  0.500  0.337  1.0
  Np  Np1  1  0.500  0.000  0.663  1.0
  Cu  Cu2  1  0.000  0.000  1.000  1.0
  Cu  Cu3  1  0.500  0.500  1.000  1.0
  P  P4  1  0.000  0.500  0.829  1.0
  P  P5  1  0.500  0.000  0.171  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by NpCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Np(1) is bonded in a 4-coordinate geometry to four equivalent P(1) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent P(1) atoms to form a mixture of corner and edge-sharing CuP4 tetrahedra. P(1) is bonded in a 8-coordinate geometry to four equivalent Np(1) and four equivalent Cu(1) atoms. O(1) is bonded to four equivalent Np(1) atoms to form a mixture of corner and edge-sharing ONp4 tetrahedra. is represented by the CIF file [CIF]
data_NpCuPO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.797
_cell_length_b   3.797
_cell_length_c   8.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.698
_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
  Np  Np0  1  0.000  0.500  0.337  1.0
  Np  Np1  1  0.500  0.000  0.663  1.0
  Cu  Cu2  1  0.000  0.000  1.000  1.0
  Cu  Cu3  1  0.500  0.500  1.000  1.0
  P  P4  1  0.000  0.500  0.829  1.0
  P  P5  1  0.500  0.000  0.171  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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