The compound described by Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Y2SiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.652
_cell_length_c   6.727
_cell_angle_alpha   95.537
_cell_angle_beta   116.435
_cell_angle_gamma   92.669
_symmetry_Int_Tables_number   1
_cell_volume   259.201
_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
  Y  Y0  1  0.257  0.667  0.189  1.0
  Y  Y1  1  0.251  0.913  0.701  1.0
  Y  Y2  1  0.743  0.333  0.811  1.0
  Y  Y3  1  0.749  0.087  0.299  1.0
  Si  Si4  1  0.263  0.158  0.242  1.0
  Si  Si5  1  0.737  0.842  0.758  1.0
  C  C6  1  0.806  0.590  0.266  1.0
  C  C7  1  0.194  0.410  0.734  1.0
  O  O8  1  0.114  0.034  0.342  1.0
  O  O9  1  0.343  0.284  0.750  1.0
  O  O10  1  0.265  0.596  0.835  1.0
  O  O11  1  0.023  0.647  0.377  1.0
  O  O12  1  0.479  0.751  0.563  1.0
  O  O13  1  0.668  0.017  0.910  1.0
  O  O14  1  0.977  0.353  0.623  1.0
  O  O15  1  0.332  0.983  0.090  1.0
  O  O16  1  0.127  0.332  0.093  1.0
  O  O17  1  0.886  0.966  0.658  1.0
  O  O18  1  0.735  0.404  0.165  1.0
  O  O19  1  0.873  0.668  0.907  1.0
  O  O20  1  0.657  0.716  0.250  1.0
  O  O21  1  0.521  0.249  0.437  1.0
[/CIF]
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The compound described by Y2SiCO7 is Zircon-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(1) atom. In the sixth O site, O(6) is bonded to one Y(1), two equivalent Y(2), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Si(1) atom. is represented by the CIF card [CIF]
data_Y2SiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.652
_cell_length_c   6.727
_cell_angle_alpha   95.537
_cell_angle_beta   116.435
_cell_angle_gamma   92.669
_symmetry_Int_Tables_number   1
_cell_volume   259.201
_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
  Y  Y0  1  0.257  0.667  0.189  1.0
  Y  Y1  1  0.251  0.913  0.701  1.0
  Y  Y2  1  0.743  0.333  0.811  1.0
  Y  Y3  1  0.749  0.087  0.299  1.0
  Si  Si4  1  0.263  0.158  0.242  1.0
  Si  Si5  1  0.737  0.842  0.758  1.0
  C  C6  1  0.806  0.590  0.266  1.0
  C  C7  1  0.194  0.410  0.734  1.0
  O  O8  1  0.114  0.034  0.342  1.0
  O  O9  1  0.343  0.284  0.750  1.0
  O  O10  1  0.265  0.596  0.835  1.0
  O  O11  1  0.023  0.647  0.377  1.0
  O  O12  1  0.479  0.751  0.563  1.0
  O  O13  1  0.668  0.017  0.910  1.0
  O  O14  1  0.977  0.353  0.623  1.0
  O  O15  1  0.332  0.983  0.090  1.0
  O  O16  1  0.127  0.332  0.093  1.0
  O  O17  1  0.886  0.966  0.658  1.0
  O  O18  1  0.735  0.404  0.165  1.0
  O  O19  1  0.873  0.668  0.907  1.0
  O  O20  1  0.657  0.716  0.250  1.0
  O  O21  1  0.521  0.249  0.437  1.0
[/CIF]
.