The material described by NdOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.049
_cell_length_c   6.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.302
_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
  Nd  Nd0  1  0.750  0.750  0.826  1.0
  Nd  Nd1  1  0.250  0.250  0.174  1.0
  Cl  Cl2  1  0.250  0.250  0.628  1.0
  Cl  Cl3  1  0.750  0.750  0.372  1.0
  O  O4  1  0.750  0.250  0.000  1.0
  O  O5  1  0.250  0.750  0.000  1.0
[/CIF]
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The material described by NdOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.049
_cell_length_c   6.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.302
_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
  Nd  Nd0  1  0.750  0.750  0.826  1.0
  Nd  Nd1  1  0.250  0.250  0.174  1.0
  Cl  Cl2  1  0.250  0.250  0.628  1.0
  Cl  Cl3  1  0.750  0.750  0.372  1.0
  O  O4  1  0.750  0.250  0.000  1.0
  O  O5  1  0.250  0.750  0.000  1.0
[/CIF]
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