The compound described by NdSeO3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), one Cl(1), and three equivalent Cl(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), three equivalent O(2), and one Cl(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Nd(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Nd(1) and one Nd(2) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   11.300
_cell_length_c   13.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.050
_cell_formula_units_Z   8
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  0.250  0.428  0.855  1.0
  Nd  Nd1  1  0.750  0.929  0.100  1.0
  Nd  Nd2  1  0.250  0.071  0.900  1.0
  Nd  Nd3  1  0.250  0.928  0.645  1.0
  Nd  Nd4  1  0.250  0.571  0.600  1.0
  Nd  Nd5  1  0.750  0.429  0.400  1.0
  Nd  Nd6  1  0.750  0.072  0.355  1.0
  Nd  Nd7  1  0.750  0.572  0.145  1.0
  Se  Se8  1  0.750  0.241  0.970  1.0
  Se  Se9  1  0.250  0.259  0.470  1.0
  Se  Se10  1  0.750  0.741  0.530  1.0
  Se  Se11  1  0.250  0.152  0.184  1.0
  Se  Se12  1  0.750  0.848  0.816  1.0
  Se  Se13  1  0.250  0.759  0.030  1.0
  Se  Se14  1  0.750  0.348  0.684  1.0
  Se  Se15  1  0.250  0.652  0.316  1.0
  Cl  Cl16  1  0.250  0.167  0.700  1.0
  Cl  Cl17  1  0.750  0.333  0.200  1.0
  Cl  Cl18  1  0.750  0.833  0.300  1.0
  Cl  Cl19  1  0.250  0.482  0.068  1.0
  Cl  Cl20  1  0.750  0.018  0.568  1.0
  Cl  Cl21  1  0.250  0.982  0.432  1.0
  Cl  Cl22  1  0.750  0.518  0.932  1.0
  Cl  Cl23  1  0.250  0.667  0.800  1.0
  O  O24  1  0.250  0.658  0.440  1.0
  O  O25  1  0.750  0.586  0.526  1.0
  O  O26  1  0.499  0.057  0.208  1.0
  O  O27  1  0.250  0.158  0.060  1.0
  O  O28  1  0.001  0.057  0.208  1.0
  O  O29  1  0.250  0.414  0.474  1.0
  O  O30  1  0.750  0.086  0.974  1.0
  O  O31  1  0.496  0.743  0.110  1.0
  O  O32  1  0.504  0.257  0.890  1.0
  O  O33  1  0.501  0.443  0.708  1.0
  O  O34  1  0.999  0.443  0.708  1.0
  O  O35  1  0.996  0.257  0.890  1.0
  O  O36  1  0.750  0.842  0.940  1.0
  O  O37  1  0.250  0.914  0.026  1.0
  O  O38  1  0.996  0.757  0.610  1.0
  O  O39  1  0.504  0.757  0.610  1.0
  O  O40  1  0.001  0.557  0.292  1.0
  O  O41  1  0.501  0.943  0.792  1.0
  O  O42  1  0.004  0.243  0.390  1.0
  O  O43  1  0.499  0.557  0.292  1.0
  O  O44  1  0.750  0.342  0.560  1.0
  O  O45  1  0.496  0.243  0.390  1.0
  O  O46  1  0.999  0.943  0.792  1.0
  O  O47  1  0.004  0.743  0.110  1.0
[/CIF]
.
The compound described by NdSeO3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), one Cl(1), and three equivalent Cl(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), three equivalent O(2), and one Cl(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Nd(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Nd(1) and one Nd(2) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_NdSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   11.300
_cell_length_c   13.666
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.050
_cell_formula_units_Z   8
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  0.250  0.428  0.855  1.0
  Nd  Nd1  1  0.750  0.929  0.100  1.0
  Nd  Nd2  1  0.250  0.071  0.900  1.0
  Nd  Nd3  1  0.250  0.928  0.645  1.0
  Nd  Nd4  1  0.250  0.571  0.600  1.0
  Nd  Nd5  1  0.750  0.429  0.400  1.0
  Nd  Nd6  1  0.750  0.072  0.355  1.0
  Nd  Nd7  1  0.750  0.572  0.145  1.0
  Se  Se8  1  0.750  0.241  0.970  1.0
  Se  Se9  1  0.250  0.259  0.470  1.0
  Se  Se10  1  0.750  0.741  0.530  1.0
  Se  Se11  1  0.250  0.152  0.184  1.0
  Se  Se12  1  0.750  0.848  0.816  1.0
  Se  Se13  1  0.250  0.759  0.030  1.0
  Se  Se14  1  0.750  0.348  0.684  1.0
  Se  Se15  1  0.250  0.652  0.316  1.0
  Cl  Cl16  1  0.250  0.167  0.700  1.0
  Cl  Cl17  1  0.750  0.333  0.200  1.0
  Cl  Cl18  1  0.750  0.833  0.300  1.0
  Cl  Cl19  1  0.250  0.482  0.068  1.0
  Cl  Cl20  1  0.750  0.018  0.568  1.0
  Cl  Cl21  1  0.250  0.982  0.432  1.0
  Cl  Cl22  1  0.750  0.518  0.932  1.0
  Cl  Cl23  1  0.250  0.667  0.800  1.0
  O  O24  1  0.250  0.658  0.440  1.0
  O  O25  1  0.750  0.586  0.526  1.0
  O  O26  1  0.499  0.057  0.208  1.0
  O  O27  1  0.250  0.158  0.060  1.0
  O  O28  1  0.001  0.057  0.208  1.0
  O  O29  1  0.250  0.414  0.474  1.0
  O  O30  1  0.750  0.086  0.974  1.0
  O  O31  1  0.496  0.743  0.110  1.0
  O  O32  1  0.504  0.257  0.890  1.0
  O  O33  1  0.501  0.443  0.708  1.0
  O  O34  1  0.999  0.443  0.708  1.0
  O  O35  1  0.996  0.257  0.890  1.0
  O  O36  1  0.750  0.842  0.940  1.0
  O  O37  1  0.250  0.914  0.026  1.0
  O  O38  1  0.996  0.757  0.610  1.0
  O  O39  1  0.504  0.757  0.610  1.0
  O  O40  1  0.001  0.557  0.292  1.0
  O  O41  1  0.501  0.943  0.792  1.0
  O  O42  1  0.004  0.243  0.390  1.0
  O  O43  1  0.499  0.557  0.292  1.0
  O  O44  1  0.750  0.342  0.560  1.0
  O  O45  1  0.496  0.243  0.390  1.0
  O  O46  1  0.999  0.943  0.792  1.0
  O  O47  1  0.004  0.743  0.110  1.0
[/CIF]
.