The material described by SrNd4Si3O13 crystallizes in the hexagonal P6_3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. 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 five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), and one Si(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Nd(2) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Nd(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_SrNd4Si3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.679
_cell_length_b   9.679
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   581.005
_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
  Sr  Sr0  1  0.333  0.667  0.999  1.0
  Sr  Sr1  1  0.667  0.333  0.499  1.0
  Nd  Nd2  1  0.667  0.333  0.999  1.0
  Nd  Nd3  1  0.333  0.667  0.499  1.0
  Nd  Nd4  1  0.233  0.991  0.750  1.0
  Nd  Nd5  1  0.758  0.767  0.750  1.0
  Nd  Nd6  1  0.009  0.242  0.750  1.0
  Nd  Nd7  1  0.767  0.009  0.250  1.0
  Nd  Nd8  1  0.242  0.233  0.250  1.0
  Nd  Nd9  1  0.991  0.758  0.250  1.0
  Si  Si10  1  0.971  0.602  0.749  1.0
  Si  Si11  1  0.631  0.029  0.749  1.0
  Si  Si12  1  0.398  0.369  0.749  1.0
  Si  Si13  1  0.029  0.398  0.249  1.0
  Si  Si14  1  0.369  0.971  0.249  1.0
  Si  Si15  1  0.602  0.631  0.249  1.0
  O  O16  1  0.910  0.659  0.934  1.0
  O  O17  1  0.749  0.090  0.934  1.0
  O  O18  1  0.341  0.251  0.934  1.0
  O  O19  1  0.090  0.341  0.434  1.0
  O  O20  1  0.251  0.910  0.434  1.0
  O  O21  1  0.659  0.749  0.434  1.0
  O  O22  1  0.091  0.338  0.068  1.0
  O  O23  1  0.247  0.909  0.068  1.0
  O  O24  1  0.662  0.753  0.068  1.0
  O  O25  1  0.909  0.662  0.568  1.0
  O  O26  1  0.753  0.091  0.568  1.0
  O  O27  1  0.338  0.247  0.568  1.0
  O  O28  1  0.166  0.685  0.740  1.0
  O  O29  1  0.519  0.834  0.740  1.0
  O  O30  1  0.315  0.481  0.740  1.0
  O  O31  1  0.834  0.315  0.240  1.0
  O  O32  1  0.481  0.166  0.240  1.0
  O  O33  1  0.685  0.519  0.240  1.0
  O  O34  1  0.879  0.406  0.759  1.0
  O  O35  1  0.527  0.121  0.759  1.0
  O  O36  1  0.594  0.473  0.759  1.0
  O  O37  1  0.121  0.594  0.259  1.0
  O  O38  1  0.473  0.879  0.259  1.0
  O  O39  1  0.406  0.527  0.259  1.0
  O  O40  1  0.000  0.000  0.752  1.0
  O  O41  1  0.000  0.000  0.252  1.0
[/CIF]
.
The material described by SrNd4Si3O13 crystallizes in the hexagonal P6_3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. 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 five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), and one Si(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Nd(2) atoms. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Sr(1), two equivalent Nd(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_SrNd4Si3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.679
_cell_length_b   9.679
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   581.005
_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
  Sr  Sr0  1  0.333  0.667  0.999  1.0
  Sr  Sr1  1  0.667  0.333  0.499  1.0
  Nd  Nd2  1  0.667  0.333  0.999  1.0
  Nd  Nd3  1  0.333  0.667  0.499  1.0
  Nd  Nd4  1  0.233  0.991  0.750  1.0
  Nd  Nd5  1  0.758  0.767  0.750  1.0
  Nd  Nd6  1  0.009  0.242  0.750  1.0
  Nd  Nd7  1  0.767  0.009  0.250  1.0
  Nd  Nd8  1  0.242  0.233  0.250  1.0
  Nd  Nd9  1  0.991  0.758  0.250  1.0
  Si  Si10  1  0.971  0.602  0.749  1.0
  Si  Si11  1  0.631  0.029  0.749  1.0
  Si  Si12  1  0.398  0.369  0.749  1.0
  Si  Si13  1  0.029  0.398  0.249  1.0
  Si  Si14  1  0.369  0.971  0.249  1.0
  Si  Si15  1  0.602  0.631  0.249  1.0
  O  O16  1  0.910  0.659  0.934  1.0
  O  O17  1  0.749  0.090  0.934  1.0
  O  O18  1  0.341  0.251  0.934  1.0
  O  O19  1  0.090  0.341  0.434  1.0
  O  O20  1  0.251  0.910  0.434  1.0
  O  O21  1  0.659  0.749  0.434  1.0
  O  O22  1  0.091  0.338  0.068  1.0
  O  O23  1  0.247  0.909  0.068  1.0
  O  O24  1  0.662  0.753  0.068  1.0
  O  O25  1  0.909  0.662  0.568  1.0
  O  O26  1  0.753  0.091  0.568  1.0
  O  O27  1  0.338  0.247  0.568  1.0
  O  O28  1  0.166  0.685  0.740  1.0
  O  O29  1  0.519  0.834  0.740  1.0
  O  O30  1  0.315  0.481  0.740  1.0
  O  O31  1  0.834  0.315  0.240  1.0
  O  O32  1  0.481  0.166  0.240  1.0
  O  O33  1  0.685  0.519  0.240  1.0
  O  O34  1  0.879  0.406  0.759  1.0
  O  O35  1  0.527  0.121  0.759  1.0
  O  O36  1  0.594  0.473  0.759  1.0
  O  O37  1  0.121  0.594  0.259  1.0
  O  O38  1  0.473  0.879  0.259  1.0
  O  O39  1  0.406  0.527  0.259  1.0
  O  O40  1  0.000  0.000  0.752  1.0
  O  O41  1  0.000  0.000  0.252  1.0
[/CIF]
.