The compound described by LuBO3 is Calcite-like structured and crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 55°. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   4.600
_cell_length_c   7.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.729
_symmetry_Int_Tables_number   1
_cell_volume   117.689
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  B  B2  1  0.282  0.718  0.250  1.0
  B  B3  1  0.718  0.282  0.750  1.0
  O  O4  1  0.121  0.879  0.250  1.0
  O  O5  1  0.365  0.635  0.100  1.0
  O  O6  1  0.365  0.635  0.400  1.0
  O  O7  1  0.635  0.365  0.600  1.0
  O  O8  1  0.635  0.365  0.900  1.0
  O  O9  1  0.879  0.121  0.750  1.0
[/CIF]
.
The compound described by LuBO3 is Calcite-like structured and crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 55°. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.600
_cell_length_b   4.600
_cell_length_c   7.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.729
_symmetry_Int_Tables_number   1
_cell_volume   117.689
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  B  B2  1  0.282  0.718  0.250  1.0
  B  B3  1  0.718  0.282  0.750  1.0
  O  O4  1  0.121  0.879  0.250  1.0
  O  O5  1  0.365  0.635  0.100  1.0
  O  O6  1  0.365  0.635  0.400  1.0
  O  O7  1  0.635  0.365  0.600  1.0
  O  O8  1  0.635  0.365  0.900  1.0
  O  O9  1  0.879  0.121  0.750  1.0
[/CIF]
.