The compound described by PrYSi2O7 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) 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(5) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Si(1) atom. In the second O site, O(6) is bonded in a distorted linear geometry to one Pr(1) and one Si(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Pr(1), one Y(1), and one Si(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pr(1), one Y(1), one Si(1), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrYSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   10.737
_cell_length_c   11.166
_cell_angle_alpha   90.000
_cell_angle_beta   102.975
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.822
_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
  Pr  Pr0  1  0.603  0.136  0.284  1.0
  Pr  Pr1  1  0.897  0.636  0.216  1.0
  Pr  Pr2  1  0.397  0.864  0.716  1.0
  Pr  Pr3  1  0.103  0.364  0.784  1.0
  Y  Y4  1  0.254  0.377  0.446  1.0
  Y  Y5  1  0.246  0.877  0.054  1.0
  Y  Y6  1  0.746  0.623  0.554  1.0
  Y  Y7  1  0.754  0.123  0.946  1.0
  Si  Si8  1  0.739  0.849  0.023  1.0
  Si  Si9  1  0.761  0.349  0.477  1.0
  Si  Si10  1  0.262  0.151  0.977  1.0
  Si  Si11  1  0.238  0.651  0.523  1.0
  Si  Si12  1  0.955  0.706  0.839  1.0
  Si  Si13  1  0.545  0.206  0.661  1.0
  Si  Si14  1  0.045  0.294  0.161  1.0
  Si  Si15  1  0.455  0.794  0.339  1.0
  O  O16  1  0.820  0.206  0.140  1.0
  O  O17  1  0.680  0.706  0.360  1.0
  O  O18  1  0.180  0.794  0.860  1.0
  O  O19  1  0.320  0.294  0.640  1.0
  O  O20  1  0.890  0.733  0.980  1.0
  O  O21  1  0.610  0.233  0.520  1.0
  O  O22  1  0.110  0.267  0.020  1.0
  O  O23  1  0.390  0.767  0.480  1.0
  O  O24  1  0.584  0.929  0.912  1.0
  O  O25  1  0.916  0.429  0.588  1.0
  O  O26  1  0.416  0.071  0.088  1.0
  O  O27  1  0.084  0.571  0.412  1.0
  O  O28  1  0.588  0.777  0.103  1.0
  O  O29  1  0.912  0.277  0.397  1.0
  O  O30  1  0.412  0.223  0.897  1.0
  O  O31  1  0.088  0.723  0.603  1.0
  O  O32  1  0.421  0.553  0.596  1.0
  O  O33  1  0.079  0.053  0.904  1.0
  O  O34  1  0.579  0.447  0.404  1.0
  O  O35  1  0.921  0.947  0.096  1.0
  O  O36  1  0.006  0.560  0.825  1.0
  O  O37  1  0.494  0.060  0.675  1.0
  O  O38  1  0.994  0.440  0.175  1.0
  O  O39  1  0.506  0.940  0.325  1.0
  O  O40  1  0.764  0.249  0.768  1.0
  O  O41  1  0.736  0.749  0.732  1.0
  O  O42  1  0.236  0.751  0.232  1.0
  O  O43  1  0.264  0.251  0.268  1.0
[/CIF]
.
The compound described by PrYSi2O7 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) 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(5) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Si(1) atom. In the second O site, O(6) is bonded in a distorted linear geometry to one Pr(1) and one Si(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Pr(1), one Y(1), and one Si(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pr(1), one Y(1), one Si(1), and one Si(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1), one Y(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrYSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   10.737
_cell_length_c   11.166
_cell_angle_alpha   90.000
_cell_angle_beta   102.975
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   717.822
_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
  Pr  Pr0  1  0.603  0.136  0.284  1.0
  Pr  Pr1  1  0.897  0.636  0.216  1.0
  Pr  Pr2  1  0.397  0.864  0.716  1.0
  Pr  Pr3  1  0.103  0.364  0.784  1.0
  Y  Y4  1  0.254  0.377  0.446  1.0
  Y  Y5  1  0.246  0.877  0.054  1.0
  Y  Y6  1  0.746  0.623  0.554  1.0
  Y  Y7  1  0.754  0.123  0.946  1.0
  Si  Si8  1  0.739  0.849  0.023  1.0
  Si  Si9  1  0.761  0.349  0.477  1.0
  Si  Si10  1  0.262  0.151  0.977  1.0
  Si  Si11  1  0.238  0.651  0.523  1.0
  Si  Si12  1  0.955  0.706  0.839  1.0
  Si  Si13  1  0.545  0.206  0.661  1.0
  Si  Si14  1  0.045  0.294  0.161  1.0
  Si  Si15  1  0.455  0.794  0.339  1.0
  O  O16  1  0.820  0.206  0.140  1.0
  O  O17  1  0.680  0.706  0.360  1.0
  O  O18  1  0.180  0.794  0.860  1.0
  O  O19  1  0.320  0.294  0.640  1.0
  O  O20  1  0.890  0.733  0.980  1.0
  O  O21  1  0.610  0.233  0.520  1.0
  O  O22  1  0.110  0.267  0.020  1.0
  O  O23  1  0.390  0.767  0.480  1.0
  O  O24  1  0.584  0.929  0.912  1.0
  O  O25  1  0.916  0.429  0.588  1.0
  O  O26  1  0.416  0.071  0.088  1.0
  O  O27  1  0.084  0.571  0.412  1.0
  O  O28  1  0.588  0.777  0.103  1.0
  O  O29  1  0.912  0.277  0.397  1.0
  O  O30  1  0.412  0.223  0.897  1.0
  O  O31  1  0.088  0.723  0.603  1.0
  O  O32  1  0.421  0.553  0.596  1.0
  O  O33  1  0.079  0.053  0.904  1.0
  O  O34  1  0.579  0.447  0.404  1.0
  O  O35  1  0.921  0.947  0.096  1.0
  O  O36  1  0.006  0.560  0.825  1.0
  O  O37  1  0.494  0.060  0.675  1.0
  O  O38  1  0.994  0.440  0.175  1.0
  O  O39  1  0.506  0.940  0.325  1.0
  O  O40  1  0.764  0.249  0.768  1.0
  O  O41  1  0.736  0.749  0.732  1.0
  O  O42  1  0.236  0.751  0.232  1.0
  O  O43  1  0.264  0.251  0.268  1.0
[/CIF]
.