The compound described by Yb3O7 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), two equivalent O(4), and three equivalent O(7) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. In the second Yb site, Yb(2) is bonded to one O(3), one O(4), two equivalent O(1), and three equivalent O(5) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. In the third Yb site, Yb(3) is bonded to one O(3), one O(4), two equivalent O(2), and three equivalent O(6) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(3) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(2) and one Yb(3) atom. In the fourth O site, O(4) is bonded to one Yb(2), one Yb(3), and two equivalent Yb(1) atoms to form corner-sharing OYb4 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to three equivalent Yb(2) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to three equivalent Yb(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_Yb3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.029
_cell_length_b   11.645
_cell_length_c   11.953
_cell_angle_alpha   71.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.704
_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
  Yb  Yb0  1  0.750  0.083  0.101  1.0
  Yb  Yb1  1  0.250  0.917  0.899  1.0
  Yb  Yb2  1  0.250  0.064  0.365  1.0
  Yb  Yb3  1  0.750  0.639  0.933  1.0
  Yb  Yb4  1  0.750  0.936  0.635  1.0
  Yb  Yb5  1  0.250  0.361  0.067  1.0
  O  O6  1  0.750  0.007  0.306  1.0
  O  O7  1  0.250  0.707  0.982  1.0
  O  O8  1  0.250  0.993  0.694  1.0
  O  O9  1  0.750  0.293  0.018  1.0
  O  O10  1  0.250  0.272  0.270  1.0
  O  O11  1  0.750  0.728  0.730  1.0
  O  O12  1  0.250  0.155  0.162  1.0
  O  O13  1  0.750  0.845  0.838  1.0
  O  O14  1  0.750  0.084  0.446  1.0
  O  O15  1  0.250  0.553  0.918  1.0
  O  O16  1  0.250  0.916  0.554  1.0
  O  O17  1  0.750  0.447  0.082  1.0
  O  O18  1  0.750  0.019  0.940  1.0
  O  O19  1  0.250  0.981  0.060  1.0
[/CIF]
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The compound described by Yb3O7 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), two equivalent O(4), and three equivalent O(7) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. In the second Yb site, Yb(2) is bonded to one O(3), one O(4), two equivalent O(1), and three equivalent O(5) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. In the third Yb site, Yb(3) is bonded to one O(3), one O(4), two equivalent O(2), and three equivalent O(6) atoms to form distorted edge-sharing YbO7 hexagonal pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(3) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Yb(2) and one Yb(3) atom. In the fourth O site, O(4) is bonded to one Yb(2), one Yb(3), and two equivalent Yb(1) atoms to form corner-sharing OYb4 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to three equivalent Yb(2) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to three equivalent Yb(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_Yb3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.029
_cell_length_b   11.645
_cell_length_c   11.953
_cell_angle_alpha   71.461
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.704
_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
  Yb  Yb0  1  0.750  0.083  0.101  1.0
  Yb  Yb1  1  0.250  0.917  0.899  1.0
  Yb  Yb2  1  0.250  0.064  0.365  1.0
  Yb  Yb3  1  0.750  0.639  0.933  1.0
  Yb  Yb4  1  0.750  0.936  0.635  1.0
  Yb  Yb5  1  0.250  0.361  0.067  1.0
  O  O6  1  0.750  0.007  0.306  1.0
  O  O7  1  0.250  0.707  0.982  1.0
  O  O8  1  0.250  0.993  0.694  1.0
  O  O9  1  0.750  0.293  0.018  1.0
  O  O10  1  0.250  0.272  0.270  1.0
  O  O11  1  0.750  0.728  0.730  1.0
  O  O12  1  0.250  0.155  0.162  1.0
  O  O13  1  0.750  0.845  0.838  1.0
  O  O14  1  0.750  0.084  0.446  1.0
  O  O15  1  0.250  0.553  0.918  1.0
  O  O16  1  0.250  0.916  0.554  1.0
  O  O17  1  0.750  0.447  0.082  1.0
  O  O18  1  0.750  0.019  0.940  1.0
  O  O19  1  0.250  0.981  0.060  1.0
[/CIF]
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