The crystal structure described by Sc2SiO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted ScO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra and edges with two equivalent Sc(2)O6 octahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one Si(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(2) and one Si(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Si(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Si(1) atom. In the fifth O site, O(2) is bonded to two equivalent Sc(1) and two equivalent Sc(2) atoms to form distorted edge-sharing OSc4 tetrahedra. is represented by the CIF card [CIF]
data_Sc2SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   7.577
_cell_length_c   9.266
_cell_angle_alpha   71.722
_cell_angle_beta   69.678
_cell_angle_gamma   64.867
_symmetry_Int_Tables_number   1
_cell_volume   376.176
_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
  Sc  Sc0  1  0.701  0.604  0.484  1.0
  Sc  Sc1  1  0.299  0.396  0.516  1.0
  Sc  Sc2  1  0.789  0.896  0.015  1.0
  Sc  Sc3  1  0.211  0.104  0.985  1.0
  Sc  Sc4  1  0.523  0.562  0.156  1.0
  Sc  Sc5  1  0.477  0.438  0.844  1.0
  Sc  Sc6  1  0.241  0.938  0.344  1.0
  Sc  Sc7  1  0.759  0.062  0.656  1.0
  Si  Si8  1  0.721  0.055  0.309  1.0
  Si  Si9  1  0.279  0.945  0.691  1.0
  Si  Si10  1  0.085  0.445  0.191  1.0
  Si  Si11  1  0.915  0.555  0.809  1.0
  O  O12  1  0.577  0.905  0.351  1.0
  O  O13  1  0.423  0.095  0.649  1.0
  O  O14  1  0.833  0.595  0.149  1.0
  O  O15  1  0.167  0.405  0.851  1.0
  O  O16  1  0.418  0.865  0.106  1.0
  O  O17  1  0.582  0.135  0.894  1.0
  O  O18  1  0.389  0.635  0.394  1.0
  O  O19  1  0.611  0.365  0.606  1.0
  O  O20  1  0.546  0.284  0.313  1.0
  O  O21  1  0.454  0.716  0.687  1.0
  O  O22  1  0.143  0.216  0.187  1.0
  O  O23  1  0.857  0.784  0.813  1.0
  O  O24  1  0.285  0.529  0.065  1.0
  O  O25  1  0.715  0.471  0.935  1.0
  O  O26  1  0.880  0.971  0.435  1.0
  O  O27  1  0.120  0.029  0.565  1.0
  O  O28  1  0.892  0.031  0.134  1.0
  O  O29  1  0.108  0.969  0.866  1.0
  O  O30  1  0.057  0.469  0.366  1.0
  O  O31  1  0.943  0.531  0.634  1.0
[/CIF]
.
The crystal structure described by Sc2SiO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted ScO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra and edges with two equivalent Sc(2)O6 octahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one Si(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(2) and one Si(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Si(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Si(1) atom. In the fifth O site, O(2) is bonded to two equivalent Sc(1) and two equivalent Sc(2) atoms to form distorted edge-sharing OSc4 tetrahedra. is represented by the CIF card [CIF]
data_Sc2SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   7.577
_cell_length_c   9.266
_cell_angle_alpha   71.722
_cell_angle_beta   69.678
_cell_angle_gamma   64.867
_symmetry_Int_Tables_number   1
_cell_volume   376.176
_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
  Sc  Sc0  1  0.701  0.604  0.484  1.0
  Sc  Sc1  1  0.299  0.396  0.516  1.0
  Sc  Sc2  1  0.789  0.896  0.015  1.0
  Sc  Sc3  1  0.211  0.104  0.985  1.0
  Sc  Sc4  1  0.523  0.562  0.156  1.0
  Sc  Sc5  1  0.477  0.438  0.844  1.0
  Sc  Sc6  1  0.241  0.938  0.344  1.0
  Sc  Sc7  1  0.759  0.062  0.656  1.0
  Si  Si8  1  0.721  0.055  0.309  1.0
  Si  Si9  1  0.279  0.945  0.691  1.0
  Si  Si10  1  0.085  0.445  0.191  1.0
  Si  Si11  1  0.915  0.555  0.809  1.0
  O  O12  1  0.577  0.905  0.351  1.0
  O  O13  1  0.423  0.095  0.649  1.0
  O  O14  1  0.833  0.595  0.149  1.0
  O  O15  1  0.167  0.405  0.851  1.0
  O  O16  1  0.418  0.865  0.106  1.0
  O  O17  1  0.582  0.135  0.894  1.0
  O  O18  1  0.389  0.635  0.394  1.0
  O  O19  1  0.611  0.365  0.606  1.0
  O  O20  1  0.546  0.284  0.313  1.0
  O  O21  1  0.454  0.716  0.687  1.0
  O  O22  1  0.143  0.216  0.187  1.0
  O  O23  1  0.857  0.784  0.813  1.0
  O  O24  1  0.285  0.529  0.065  1.0
  O  O25  1  0.715  0.471  0.935  1.0
  O  O26  1  0.880  0.971  0.435  1.0
  O  O27  1  0.120  0.029  0.565  1.0
  O  O28  1  0.892  0.031  0.134  1.0
  O  O29  1  0.108  0.969  0.866  1.0
  O  O30  1  0.057  0.469  0.366  1.0
  O  O31  1  0.943  0.531  0.634  1.0
[/CIF]
.