The crystal structure described by Gd2Si2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(3), and two equivalent O(13) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(2), one O(5), one O(6), one O(8), and two equivalent O(9) atoms. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one O(12), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), and one O(8) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(13), and one O(14) atom. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Gd(2), one Gd(4), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Gd(3), one Si(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Gd(2), one Gd(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Gd(2), one Gd(3), and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), one Gd(4), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Gd(3), two equivalent Gd(2), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Gd(3), one Gd(4), and one Si(1) atom. In the thirteenth O site, O(13) is bonded to one Gd(4), two equivalent Gd(1), and one Si(1) atom to form distorted edge-sharing OGd3Si tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Gd(4), and one Si(1) atom. is represented by the CIF card [CIF]
data_Gd2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.662
_cell_length_b   6.694
_cell_length_c   12.107
_cell_angle_alpha   94.262
_cell_angle_beta   90.639
_cell_angle_gamma   91.495
_symmetry_Int_Tables_number   1
_cell_volume   538.251
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.050  0.327  0.117  1.0
  Gd  Gd1  1  0.950  0.673  0.883  1.0
  Gd  Gd2  1  0.120  0.090  0.360  1.0
  Gd  Gd3  1  0.880  0.910  0.640  1.0
  Gd  Gd4  1  0.633  0.775  0.368  1.0
  Gd  Gd5  1  0.367  0.225  0.632  1.0
  Gd  Gd6  1  0.330  0.825  0.107  1.0
  Gd  Gd7  1  0.670  0.175  0.893  1.0
  Si  Si8  1  0.846  0.850  0.116  1.0
  Si  Si9  1  0.154  0.150  0.884  1.0
  Si  Si10  1  0.511  0.331  0.176  1.0
  Si  Si11  1  0.489  0.669  0.824  1.0
  Si  Si12  1  0.625  0.272  0.404  1.0
  Si  Si13  1  0.375  0.728  0.596  1.0
  Si  Si14  1  0.854  0.375  0.616  1.0
  Si  Si15  1  0.146  0.625  0.384  1.0
  O  O16  1  0.358  0.487  0.127  1.0
  O  O17  1  0.642  0.513  0.873  1.0
  O  O18  1  0.378  0.138  0.210  1.0
  O  O19  1  0.622  0.862  0.790  1.0
  O  O20  1  0.697  0.290  0.094  1.0
  O  O21  1  0.303  0.710  0.906  1.0
  O  O22  1  0.599  0.423  0.304  1.0
  O  O23  1  0.401  0.577  0.696  1.0
  O  O24  1  0.419  0.172  0.445  1.0
  O  O25  1  0.581  0.828  0.555  1.0
  O  O26  1  0.774  0.094  0.377  1.0
  O  O27  1  0.226  0.906  0.623  1.0
  O  O28  1  0.713  0.425  0.508  1.0
  O  O29  1  0.287  0.575  0.492  1.0
  O  O30  1  0.712  0.223  0.685  1.0
  O  O31  1  0.288  0.777  0.315  1.0
  O  O32  1  0.034  0.230  0.571  1.0
  O  O33  1  0.966  0.770  0.429  1.0
  O  O34  1  0.925  0.580  0.685  1.0
  O  O35  1  0.075  0.420  0.315  1.0
  O  O36  1  0.768  0.914  0.998  1.0
  O  O37  1  0.232  0.086  0.002  1.0
  O  O38  1  0.655  0.787  0.186  1.0
  O  O39  1  0.345  0.213  0.814  1.0
  O  O40  1  1.000  0.666  0.082  1.0
  O  O41  1  0.000  0.334  0.918  1.0
  O  O42  1  0.998  0.009  0.185  1.0
  O  O43  1  0.002  0.991  0.815  1.0
[/CIF]
.
The crystal structure described by Gd2Si2O7 crystallizes in the triclinic P-1 space group. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(3), and two equivalent O(13) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(2), one O(5), one O(6), one O(8), and two equivalent O(9) atoms. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one O(12), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), and one O(8) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(13), and one O(14) atom. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Gd(2), one Gd(4), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Gd(3), one Si(2), and one Si(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Gd(2), one Gd(3), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Gd(2), one Gd(3), and one Si(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), one Gd(4), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Gd(3), two equivalent Gd(2), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(4), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Gd(3), one Gd(4), and one Si(1) atom. In the thirteenth O site, O(13) is bonded to one Gd(4), two equivalent Gd(1), and one Si(1) atom to form distorted edge-sharing OGd3Si tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Gd(4), and one Si(1) atom. is represented by the CIF card [CIF]
data_Gd2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.662
_cell_length_b   6.694
_cell_length_c   12.107
_cell_angle_alpha   94.262
_cell_angle_beta   90.639
_cell_angle_gamma   91.495
_symmetry_Int_Tables_number   1
_cell_volume   538.251
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.050  0.327  0.117  1.0
  Gd  Gd1  1  0.950  0.673  0.883  1.0
  Gd  Gd2  1  0.120  0.090  0.360  1.0
  Gd  Gd3  1  0.880  0.910  0.640  1.0
  Gd  Gd4  1  0.633  0.775  0.368  1.0
  Gd  Gd5  1  0.367  0.225  0.632  1.0
  Gd  Gd6  1  0.330  0.825  0.107  1.0
  Gd  Gd7  1  0.670  0.175  0.893  1.0
  Si  Si8  1  0.846  0.850  0.116  1.0
  Si  Si9  1  0.154  0.150  0.884  1.0
  Si  Si10  1  0.511  0.331  0.176  1.0
  Si  Si11  1  0.489  0.669  0.824  1.0
  Si  Si12  1  0.625  0.272  0.404  1.0
  Si  Si13  1  0.375  0.728  0.596  1.0
  Si  Si14  1  0.854  0.375  0.616  1.0
  Si  Si15  1  0.146  0.625  0.384  1.0
  O  O16  1  0.358  0.487  0.127  1.0
  O  O17  1  0.642  0.513  0.873  1.0
  O  O18  1  0.378  0.138  0.210  1.0
  O  O19  1  0.622  0.862  0.790  1.0
  O  O20  1  0.697  0.290  0.094  1.0
  O  O21  1  0.303  0.710  0.906  1.0
  O  O22  1  0.599  0.423  0.304  1.0
  O  O23  1  0.401  0.577  0.696  1.0
  O  O24  1  0.419  0.172  0.445  1.0
  O  O25  1  0.581  0.828  0.555  1.0
  O  O26  1  0.774  0.094  0.377  1.0
  O  O27  1  0.226  0.906  0.623  1.0
  O  O28  1  0.713  0.425  0.508  1.0
  O  O29  1  0.287  0.575  0.492  1.0
  O  O30  1  0.712  0.223  0.685  1.0
  O  O31  1  0.288  0.777  0.315  1.0
  O  O32  1  0.034  0.230  0.571  1.0
  O  O33  1  0.966  0.770  0.429  1.0
  O  O34  1  0.925  0.580  0.685  1.0
  O  O35  1  0.075  0.420  0.315  1.0
  O  O36  1  0.768  0.914  0.998  1.0
  O  O37  1  0.232  0.086  0.002  1.0
  O  O38  1  0.655  0.787  0.186  1.0
  O  O39  1  0.345  0.213  0.814  1.0
  O  O40  1  1.000  0.666  0.082  1.0
  O  O41  1  0.000  0.334  0.918  1.0
  O  O42  1  0.998  0.009  0.185  1.0
  O  O43  1  0.002  0.991  0.815  1.0
[/CIF]
.