The compound described by Yb3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(7) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one B(3), three equivalent O(2), and three equivalent O(6) atoms. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(3), and three equivalent O(5) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second B site, B(2) is bonded in a linear geometry to two equivalent O(3) atoms. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Yb(2) and two equivalent O(6) atoms. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(4) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(4) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(2) atom. In the seventh O site, O(4) is bonded in a see-saw-like geometry to one Yb(1), one Yb(3), and two equivalent B(4) atoms. is represented by the CIF file [CIF]
data_Yb3B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   3.884
_cell_length_c   28.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.780
_symmetry_Int_Tables_number   1
_cell_volume   351.455
_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  0.003  0.997  0.991  1.0
  Yb  Yb1  1  0.982  0.018  0.181  1.0
  Yb  Yb2  1  0.982  0.018  0.319  1.0
  Yb  Yb3  1  0.002  0.998  0.653  1.0
  Yb  Yb4  1  0.002  0.998  0.847  1.0
  Yb  Yb5  1  0.003  0.997  0.509  1.0
  B  B6  1  0.321  0.679  0.089  1.0
  B  B7  1  0.321  0.679  0.411  1.0
  B  B8  1  0.325  0.675  0.750  1.0
  B  B9  1  0.746  0.254  0.250  1.0
  B  B10  1  0.637  0.363  0.919  1.0
  B  B11  1  0.637  0.363  0.581  1.0
  O  O12  1  0.316  0.684  0.455  1.0
  O  O13  1  0.329  0.671  0.134  1.0
  O  O14  1  0.325  0.675  0.794  1.0
  O  O15  1  0.316  0.684  0.045  1.0
  O  O16  1  0.329  0.671  0.366  1.0
  O  O17  1  0.325  0.675  0.706  1.0
  O  O18  1  0.026  0.974  0.581  1.0
  O  O19  1  0.026  0.974  0.919  1.0
  O  O20  1  0.684  0.316  0.627  1.0
  O  O21  1  0.657  0.343  0.293  1.0
  O  O22  1  0.657  0.343  0.207  1.0
  O  O23  1  0.684  0.316  0.966  1.0
  O  O24  1  0.684  0.316  0.534  1.0
  O  O25  1  0.684  0.316  0.873  1.0
[/CIF]
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The compound described by Yb3B3O7 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(7) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one B(3), three equivalent O(2), and three equivalent O(6) atoms. In the third Yb site, Yb(3) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(3), and three equivalent O(5) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second B site, B(2) is bonded in a linear geometry to two equivalent O(3) atoms. In the third B site, B(3) is bonded in a bent 120 degrees geometry to two equivalent Yb(2) and two equivalent O(6) atoms. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one O(5), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(4) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(3) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(4) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Yb(2) and one B(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(3) and one B(2) atom. In the seventh O site, O(4) is bonded in a see-saw-like geometry to one Yb(1), one Yb(3), and two equivalent B(4) atoms. is represented by the CIF file [CIF]
data_Yb3B3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   3.884
_cell_length_c   28.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.780
_symmetry_Int_Tables_number   1
_cell_volume   351.455
_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  0.003  0.997  0.991  1.0
  Yb  Yb1  1  0.982  0.018  0.181  1.0
  Yb  Yb2  1  0.982  0.018  0.319  1.0
  Yb  Yb3  1  0.002  0.998  0.653  1.0
  Yb  Yb4  1  0.002  0.998  0.847  1.0
  Yb  Yb5  1  0.003  0.997  0.509  1.0
  B  B6  1  0.321  0.679  0.089  1.0
  B  B7  1  0.321  0.679  0.411  1.0
  B  B8  1  0.325  0.675  0.750  1.0
  B  B9  1  0.746  0.254  0.250  1.0
  B  B10  1  0.637  0.363  0.919  1.0
  B  B11  1  0.637  0.363  0.581  1.0
  O  O12  1  0.316  0.684  0.455  1.0
  O  O13  1  0.329  0.671  0.134  1.0
  O  O14  1  0.325  0.675  0.794  1.0
  O  O15  1  0.316  0.684  0.045  1.0
  O  O16  1  0.329  0.671  0.366  1.0
  O  O17  1  0.325  0.675  0.706  1.0
  O  O18  1  0.026  0.974  0.581  1.0
  O  O19  1  0.026  0.974  0.919  1.0
  O  O20  1  0.684  0.316  0.627  1.0
  O  O21  1  0.657  0.343  0.293  1.0
  O  O22  1  0.657  0.343  0.207  1.0
  O  O23  1  0.684  0.316  0.966  1.0
  O  O24  1  0.684  0.316  0.534  1.0
  O  O25  1  0.684  0.316  0.873  1.0
[/CIF]
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