The material structure described by YbBO3 is Calcite-like structured and crystallizes in the monoclinic Pm space group. Yb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Yb(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Yb(1) and one B(2) atom. is represented by the CIF card [CIF]
data_YbBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.920
_cell_length_c   7.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.866
_symmetry_Int_Tables_number   1
_cell_volume   131.255
_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  0.022  0.022  0.000  1.0
  Yb  Yb1  1  0.022  0.022  0.500  1.0
  B  B2  1  0.298  0.748  0.750  1.0
  B  B3  1  0.754  0.303  0.250  1.0
  O  O4  1  0.148  0.892  0.750  1.0
  O  O5  1  0.385  0.664  0.607  1.0
  O  O6  1  0.385  0.664  0.893  1.0
  O  O7  1  0.662  0.383  0.106  1.0
  O  O8  1  0.662  0.383  0.394  1.0
  O  O9  1  0.912  0.167  0.250  1.0
[/CIF]
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The material structure described by YbBO3 is Calcite-like structured and crystallizes in the monoclinic Pm space group. Yb(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Yb(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Yb(1) and one B(2) atom. is represented by the CIF card [CIF]
data_YbBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   4.920
_cell_length_c   7.911
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.866
_symmetry_Int_Tables_number   1
_cell_volume   131.255
_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  0.022  0.022  0.000  1.0
  Yb  Yb1  1  0.022  0.022  0.500  1.0
  B  B2  1  0.298  0.748  0.750  1.0
  B  B3  1  0.754  0.303  0.250  1.0
  O  O4  1  0.148  0.892  0.750  1.0
  O  O5  1  0.385  0.664  0.607  1.0
  O  O6  1  0.385  0.664  0.893  1.0
  O  O7  1  0.662  0.383  0.106  1.0
  O  O8  1  0.662  0.383  0.394  1.0
  O  O9  1  0.912  0.167  0.250  1.0
[/CIF]
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