The material structure described by Nd5As2O10Cl crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to two equivalent O(2), four equivalent O(1), and one Cl(1) atom. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(3), and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with six equivalent O(2)Nd3As tetrahedra, edges with two equivalent O(2)Nd3As tetrahedra, and edges with three equivalent O(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), one Nd(2), one Nd(3), and one As(1) atom to form distorted ONd3As tetrahedra that share corners with two equivalent O(2)Nd3As tetrahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3As tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Nd(1) and one As(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd5As2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   9.117
_cell_angle_alpha   66.286
_cell_angle_beta   66.286
_cell_angle_gamma   49.226
_symmetry_Int_Tables_number   1
_cell_volume   294.242
_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
  Nd  Nd0  1  0.500  0.500  0.708  1.0
  Nd  Nd1  1  0.746  0.746  0.872  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.254  0.254  0.128  1.0
  Nd  Nd4  1  0.500  0.500  0.292  1.0
  As  As5  1  0.785  0.785  0.393  1.0
  As  As6  1  0.215  0.215  0.607  1.0
  Cl  Cl7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.626  0.133  0.916  1.0
  O  O9  1  0.623  0.094  0.247  1.0
  O  O10  1  0.640  0.640  0.399  1.0
  O  O11  1  0.360  0.360  0.601  1.0
  O  O12  1  0.133  0.626  0.916  1.0
  O  O13  1  0.867  0.374  0.084  1.0
  O  O14  1  0.094  0.623  0.247  1.0
  O  O15  1  0.374  0.867  0.084  1.0
  O  O16  1  0.906  0.377  0.753  1.0
  O  O17  1  0.377  0.906  0.753  1.0
[/CIF]
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The material structure described by Nd5As2O10Cl crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to two equivalent O(2), four equivalent O(1), and one Cl(1) atom. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(3), and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with four equivalent O(1)Nd4 tetrahedra, corners with six equivalent O(2)Nd3As tetrahedra, edges with two equivalent O(2)Nd3As tetrahedra, and edges with three equivalent O(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), one Nd(2), one Nd(3), and one As(1) atom to form distorted ONd3As tetrahedra that share corners with two equivalent O(2)Nd3As tetrahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3As tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Nd(1) and one As(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd5As2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   9.117
_cell_angle_alpha   66.286
_cell_angle_beta   66.286
_cell_angle_gamma   49.226
_symmetry_Int_Tables_number   1
_cell_volume   294.242
_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
  Nd  Nd0  1  0.500  0.500  0.708  1.0
  Nd  Nd1  1  0.746  0.746  0.872  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.254  0.254  0.128  1.0
  Nd  Nd4  1  0.500  0.500  0.292  1.0
  As  As5  1  0.785  0.785  0.393  1.0
  As  As6  1  0.215  0.215  0.607  1.0
  Cl  Cl7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.626  0.133  0.916  1.0
  O  O9  1  0.623  0.094  0.247  1.0
  O  O10  1  0.640  0.640  0.399  1.0
  O  O11  1  0.360  0.360  0.601  1.0
  O  O12  1  0.133  0.626  0.916  1.0
  O  O13  1  0.867  0.374  0.084  1.0
  O  O14  1  0.094  0.623  0.247  1.0
  O  O15  1  0.374  0.867  0.084  1.0
  O  O16  1  0.906  0.377  0.753  1.0
  O  O17  1  0.377  0.906  0.753  1.0
[/CIF]
.