The crystal structure described by Nd3Si2O8Cl crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), three equivalent O(3), and one Cl(1) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(4), and one Cl(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. Cl(1) is bonded in a distorted T-shaped geometry to one Nd(2) and two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Si2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   7.749
_cell_length_c   8.747
_cell_angle_alpha   97.614
_cell_angle_beta   90.000
_cell_angle_gamma   114.369
_symmetry_Int_Tables_number   1
_cell_volume   390.616
_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  0.790  0.371  0.171  1.0
  Nd  Nd1  1  0.420  0.629  0.329  1.0
  Nd  Nd2  1  0.580  0.371  0.671  1.0
  Nd  Nd3  1  0.926  0.000  0.750  1.0
  Nd  Nd4  1  0.210  0.629  0.829  1.0
  Nd  Nd5  1  0.074  0.000  0.250  1.0
  Si  Si6  1  0.212  0.316  0.025  1.0
  Si  Si7  1  0.104  0.316  0.525  1.0
  Si  Si8  1  0.896  0.684  0.475  1.0
  Si  Si9  1  0.788  0.684  0.975  1.0
  Cl  Cl10  1  0.475  0.000  0.750  1.0
  Cl  Cl11  1  0.525  0.000  0.250  1.0
  O  O12  1  0.958  0.691  0.656  1.0
  O  O13  1  0.095  0.712  0.355  1.0
  O  O14  1  0.042  0.309  0.344  1.0
  O  O15  1  0.319  0.524  0.581  1.0
  O  O16  1  0.950  0.154  0.032  1.0
  O  O17  1  0.204  0.524  0.081  1.0
  O  O18  1  0.050  0.846  0.968  1.0
  O  O19  1  0.383  0.288  0.145  1.0
  O  O20  1  0.267  0.309  0.844  1.0
  O  O21  1  0.617  0.712  0.855  1.0
  O  O22  1  0.796  0.846  0.468  1.0
  O  O23  1  0.796  0.476  0.919  1.0
  O  O24  1  0.905  0.288  0.645  1.0
  O  O25  1  0.681  0.476  0.419  1.0
  O  O26  1  0.733  0.691  0.156  1.0
  O  O27  1  0.204  0.154  0.532  1.0
[/CIF]
.
The crystal structure described by Nd3Si2O8Cl crystallizes in the monoclinic C2/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), three equivalent O(3), and one Cl(1) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(4), and one Cl(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Nd(2), two equivalent Nd(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Nd(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. Cl(1) is bonded in a distorted T-shaped geometry to one Nd(2) and two equivalent Nd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Si2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   7.749
_cell_length_c   8.747
_cell_angle_alpha   97.614
_cell_angle_beta   90.000
_cell_angle_gamma   114.369
_symmetry_Int_Tables_number   1
_cell_volume   390.616
_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  0.790  0.371  0.171  1.0
  Nd  Nd1  1  0.420  0.629  0.329  1.0
  Nd  Nd2  1  0.580  0.371  0.671  1.0
  Nd  Nd3  1  0.926  0.000  0.750  1.0
  Nd  Nd4  1  0.210  0.629  0.829  1.0
  Nd  Nd5  1  0.074  0.000  0.250  1.0
  Si  Si6  1  0.212  0.316  0.025  1.0
  Si  Si7  1  0.104  0.316  0.525  1.0
  Si  Si8  1  0.896  0.684  0.475  1.0
  Si  Si9  1  0.788  0.684  0.975  1.0
  Cl  Cl10  1  0.475  0.000  0.750  1.0
  Cl  Cl11  1  0.525  0.000  0.250  1.0
  O  O12  1  0.958  0.691  0.656  1.0
  O  O13  1  0.095  0.712  0.355  1.0
  O  O14  1  0.042  0.309  0.344  1.0
  O  O15  1  0.319  0.524  0.581  1.0
  O  O16  1  0.950  0.154  0.032  1.0
  O  O17  1  0.204  0.524  0.081  1.0
  O  O18  1  0.050  0.846  0.968  1.0
  O  O19  1  0.383  0.288  0.145  1.0
  O  O20  1  0.267  0.309  0.844  1.0
  O  O21  1  0.617  0.712  0.855  1.0
  O  O22  1  0.796  0.846  0.468  1.0
  O  O23  1  0.796  0.476  0.919  1.0
  O  O24  1  0.905  0.288  0.645  1.0
  O  O25  1  0.681  0.476  0.419  1.0
  O  O26  1  0.733  0.691  0.156  1.0
  O  O27  1  0.204  0.154  0.532  1.0
[/CIF]
.