The material structure described by Nd2Si2O7 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Nd(2), two equivalent Nd(1), and one Si(2) atom to form distorted corner-sharing ONd3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   8.578
_cell_length_c   12.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.877
_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
  Nd  Nd0  1  0.236  0.104  0.339  1.0
  Nd  Nd1  1  0.264  0.604  0.661  1.0
  Nd  Nd2  1  0.736  0.896  0.161  1.0
  Nd  Nd3  1  0.262  0.198  0.020  1.0
  Nd  Nd4  1  0.762  0.802  0.480  1.0
  Nd  Nd5  1  0.238  0.698  0.980  1.0
  Nd  Nd6  1  0.764  0.396  0.839  1.0
  Nd  Nd7  1  0.738  0.302  0.520  1.0
  Si  Si8  1  0.266  0.502  0.429  1.0
  Si  Si9  1  0.768  0.247  0.225  1.0
  Si  Si10  1  0.232  0.253  0.725  1.0
  Si  Si11  1  0.734  0.998  0.929  1.0
  Si  Si12  1  0.234  0.002  0.571  1.0
  Si  Si13  1  0.268  0.753  0.275  1.0
  Si  Si14  1  0.766  0.498  0.071  1.0
  Si  Si15  1  0.732  0.747  0.775  1.0
  O  O16  1  0.997  0.146  0.175  1.0
  O  O17  1  0.003  0.354  0.675  1.0
  O  O18  1  0.165  0.820  0.573  1.0
  O  O19  1  0.494  0.575  0.497  1.0
  O  O20  1  0.238  0.073  0.687  1.0
  O  O21  1  0.262  0.573  0.313  1.0
  O  O22  1  0.318  0.766  0.154  1.0
  O  O23  1  0.818  0.234  0.346  1.0
  O  O24  1  0.665  0.180  0.927  1.0
  O  O25  1  0.682  0.734  0.654  1.0
  O  O26  1  0.514  0.155  0.189  1.0
  O  O27  1  0.986  0.655  0.811  1.0
  O  O28  1  0.503  0.646  0.825  1.0
  O  O29  1  0.497  0.854  0.325  1.0
  O  O30  1  0.994  0.965  0.990  1.0
  O  O31  1  0.494  0.035  0.510  1.0
  O  O32  1  0.994  0.425  0.003  1.0
  O  O33  1  0.006  0.075  0.503  1.0
  O  O34  1  0.738  0.927  0.813  1.0
  O  O35  1  0.506  0.465  0.010  1.0
  O  O36  1  0.762  0.427  0.187  1.0
  O  O37  1  0.006  0.535  0.490  1.0
  O  O38  1  0.014  0.845  0.311  1.0
  O  O39  1  0.506  0.925  0.997  1.0
  O  O40  1  0.486  0.345  0.689  1.0
  O  O41  1  0.335  0.320  0.427  1.0
  O  O42  1  0.182  0.266  0.846  1.0
  O  O43  1  0.835  0.680  0.073  1.0
[/CIF]
.
The material structure described by Nd2Si2O7 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(7) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Nd(2), two equivalent Nd(1), and one Si(2) atom to form distorted corner-sharing ONd3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.353
_cell_length_b   8.578
_cell_length_c   12.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   594.877
_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
  Nd  Nd0  1  0.236  0.104  0.339  1.0
  Nd  Nd1  1  0.264  0.604  0.661  1.0
  Nd  Nd2  1  0.736  0.896  0.161  1.0
  Nd  Nd3  1  0.262  0.198  0.020  1.0
  Nd  Nd4  1  0.762  0.802  0.480  1.0
  Nd  Nd5  1  0.238  0.698  0.980  1.0
  Nd  Nd6  1  0.764  0.396  0.839  1.0
  Nd  Nd7  1  0.738  0.302  0.520  1.0
  Si  Si8  1  0.266  0.502  0.429  1.0
  Si  Si9  1  0.768  0.247  0.225  1.0
  Si  Si10  1  0.232  0.253  0.725  1.0
  Si  Si11  1  0.734  0.998  0.929  1.0
  Si  Si12  1  0.234  0.002  0.571  1.0
  Si  Si13  1  0.268  0.753  0.275  1.0
  Si  Si14  1  0.766  0.498  0.071  1.0
  Si  Si15  1  0.732  0.747  0.775  1.0
  O  O16  1  0.997  0.146  0.175  1.0
  O  O17  1  0.003  0.354  0.675  1.0
  O  O18  1  0.165  0.820  0.573  1.0
  O  O19  1  0.494  0.575  0.497  1.0
  O  O20  1  0.238  0.073  0.687  1.0
  O  O21  1  0.262  0.573  0.313  1.0
  O  O22  1  0.318  0.766  0.154  1.0
  O  O23  1  0.818  0.234  0.346  1.0
  O  O24  1  0.665  0.180  0.927  1.0
  O  O25  1  0.682  0.734  0.654  1.0
  O  O26  1  0.514  0.155  0.189  1.0
  O  O27  1  0.986  0.655  0.811  1.0
  O  O28  1  0.503  0.646  0.825  1.0
  O  O29  1  0.497  0.854  0.325  1.0
  O  O30  1  0.994  0.965  0.990  1.0
  O  O31  1  0.494  0.035  0.510  1.0
  O  O32  1  0.994  0.425  0.003  1.0
  O  O33  1  0.006  0.075  0.503  1.0
  O  O34  1  0.738  0.927  0.813  1.0
  O  O35  1  0.506  0.465  0.010  1.0
  O  O36  1  0.762  0.427  0.187  1.0
  O  O37  1  0.006  0.535  0.490  1.0
  O  O38  1  0.014  0.845  0.311  1.0
  O  O39  1  0.506  0.925  0.997  1.0
  O  O40  1  0.486  0.345  0.689  1.0
  O  O41  1  0.335  0.320  0.427  1.0
  O  O42  1  0.182  0.266  0.846  1.0
  O  O43  1  0.835  0.680  0.073  1.0
[/CIF]
.