The material structure described by NdB4O8Cl crystallizes in the monoclinic Cc space group. Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. In the second B site, B(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(2), and one B(4) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one B(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one B(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(2), and one B(3) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(3), and one B(4) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(3) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(4) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdB4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.548
_cell_length_b   6.548
_cell_length_c   9.676
_cell_angle_alpha   81.973
_cell_angle_beta   81.973
_cell_angle_gamma   119.561
_symmetry_Int_Tables_number   1
_cell_volume   346.711
_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  0.806  0.221  0.501  1.0
  Nd  Nd1  1  0.221  0.806  0.001  1.0
  B  B2  1  0.870  0.766  0.577  1.0
  B  B3  1  0.766  0.870  0.077  1.0
  B  B4  1  0.646  0.153  0.149  1.0
  B  B5  1  0.153  0.646  0.649  1.0
  B  B6  1  0.247  0.063  0.627  1.0
  B  B7  1  0.063  0.247  0.127  1.0
  B  B8  1  0.510  0.439  0.063  1.0
  B  B9  1  0.439  0.510  0.563  1.0
  Cl  Cl10  1  0.052  0.691  0.305  1.0
  Cl  Cl11  1  0.691  0.052  0.805  1.0
  O  O12  1  0.338  0.906  0.592  1.0
  O  O13  1  0.906  0.338  0.092  1.0
  O  O14  1  0.452  0.309  0.558  1.0
  O  O15  1  0.309  0.452  0.058  1.0
  O  O16  1  0.031  0.006  0.570  1.0
  O  O17  1  0.006  0.031  0.070  1.0
  O  O18  1  0.729  0.652  0.048  1.0
  O  O19  1  0.652  0.729  0.548  1.0
  O  O20  1  0.493  0.219  0.082  1.0
  O  O21  1  0.219  0.493  0.582  1.0
  O  O22  1  0.914  0.586  0.619  1.0
  O  O23  1  0.586  0.914  0.119  1.0
  O  O24  1  0.195  0.007  0.783  1.0
  O  O25  1  0.007  0.195  0.283  1.0
  O  O26  1  0.616  0.148  0.301  1.0
  O  O27  1  0.148  0.616  0.801  1.0
[/CIF]
.
The material structure described by NdB4O8Cl crystallizes in the monoclinic Cc space group. Nd(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. In the second B site, B(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(2), and one B(4) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one B(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one B(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(2), and one B(3) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(3), and one B(4) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(3) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one B(1), and one B(4) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdB4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.548
_cell_length_b   6.548
_cell_length_c   9.676
_cell_angle_alpha   81.973
_cell_angle_beta   81.973
_cell_angle_gamma   119.561
_symmetry_Int_Tables_number   1
_cell_volume   346.711
_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  0.806  0.221  0.501  1.0
  Nd  Nd1  1  0.221  0.806  0.001  1.0
  B  B2  1  0.870  0.766  0.577  1.0
  B  B3  1  0.766  0.870  0.077  1.0
  B  B4  1  0.646  0.153  0.149  1.0
  B  B5  1  0.153  0.646  0.649  1.0
  B  B6  1  0.247  0.063  0.627  1.0
  B  B7  1  0.063  0.247  0.127  1.0
  B  B8  1  0.510  0.439  0.063  1.0
  B  B9  1  0.439  0.510  0.563  1.0
  Cl  Cl10  1  0.052  0.691  0.305  1.0
  Cl  Cl11  1  0.691  0.052  0.805  1.0
  O  O12  1  0.338  0.906  0.592  1.0
  O  O13  1  0.906  0.338  0.092  1.0
  O  O14  1  0.452  0.309  0.558  1.0
  O  O15  1  0.309  0.452  0.058  1.0
  O  O16  1  0.031  0.006  0.570  1.0
  O  O17  1  0.006  0.031  0.070  1.0
  O  O18  1  0.729  0.652  0.048  1.0
  O  O19  1  0.652  0.729  0.548  1.0
  O  O20  1  0.493  0.219  0.082  1.0
  O  O21  1  0.219  0.493  0.582  1.0
  O  O22  1  0.914  0.586  0.619  1.0
  O  O23  1  0.586  0.914  0.119  1.0
  O  O24  1  0.195  0.007  0.783  1.0
  O  O25  1  0.007  0.195  0.283  1.0
  O  O26  1  0.616  0.148  0.301  1.0
  O  O27  1  0.148  0.616  0.801  1.0
[/CIF]
.