The structure described by Lu4(B2O5)3 crystallizes in the trigonal R3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing LuO6 octahedra. In the second Lu site, Lu(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form edge-sharing LuO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one B(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the third O site, O(5) is bonded in a distorted T-shaped geometry to one Lu(1), one Lu(2), and one B(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one B(2) atom. In the fifth 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_Lu4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   7.943
_cell_length_c   7.943
_cell_angle_alpha   112.001
_cell_angle_beta   112.001
_cell_angle_gamma   112.001
_symmetry_Int_Tables_number   1
_cell_volume   344.949
_cell_formula_units_Z   1
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  0.095  0.802  0.279  1.0
  Lu  Lu1  1  0.802  0.279  0.095  1.0
  Lu  Lu2  1  0.994  0.994  0.994  1.0
  Lu  Lu3  1  0.279  0.095  0.802  1.0
  B  B4  1  0.272  0.501  0.188  1.0
  B  B5  1  0.513  0.851  0.594  1.0
  B  B6  1  0.851  0.594  0.513  1.0
  B  B7  1  0.501  0.188  0.272  1.0
  B  B8  1  0.188  0.272  0.501  1.0
  B  B9  1  0.594  0.513  0.851  1.0
  O  O10  1  0.800  0.724  0.993  1.0
  O  O11  1  0.088  0.509  0.116  1.0
  O  O12  1  0.354  0.886  0.589  1.0
  O  O13  1  0.476  0.686  0.403  1.0
  O  O14  1  0.248  0.308  0.049  1.0
  O  O15  1  0.886  0.589  0.354  1.0
  O  O16  1  0.993  0.800  0.724  1.0
  O  O17  1  0.509  0.116  0.088  1.0
  O  O18  1  0.049  0.248  0.308  1.0
  O  O19  1  0.686  0.403  0.476  1.0
  O  O20  1  0.403  0.476  0.686  1.0
  O  O21  1  0.308  0.049  0.248  1.0
  O  O22  1  0.116  0.088  0.509  1.0
  O  O23  1  0.589  0.354  0.886  1.0
  O  O24  1  0.724  0.993  0.800  1.0
[/CIF]
.
The structure described by Lu4(B2O5)3 crystallizes in the trigonal R3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing LuO6 octahedra. In the second Lu site, Lu(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form edge-sharing LuO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one B(2) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the third O site, O(5) is bonded in a distorted T-shaped geometry to one Lu(1), one Lu(2), and one B(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one B(2) atom. In the fifth 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_Lu4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   7.943
_cell_length_c   7.943
_cell_angle_alpha   112.001
_cell_angle_beta   112.001
_cell_angle_gamma   112.001
_symmetry_Int_Tables_number   1
_cell_volume   344.949
_cell_formula_units_Z   1
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  0.095  0.802  0.279  1.0
  Lu  Lu1  1  0.802  0.279  0.095  1.0
  Lu  Lu2  1  0.994  0.994  0.994  1.0
  Lu  Lu3  1  0.279  0.095  0.802  1.0
  B  B4  1  0.272  0.501  0.188  1.0
  B  B5  1  0.513  0.851  0.594  1.0
  B  B6  1  0.851  0.594  0.513  1.0
  B  B7  1  0.501  0.188  0.272  1.0
  B  B8  1  0.188  0.272  0.501  1.0
  B  B9  1  0.594  0.513  0.851  1.0
  O  O10  1  0.800  0.724  0.993  1.0
  O  O11  1  0.088  0.509  0.116  1.0
  O  O12  1  0.354  0.886  0.589  1.0
  O  O13  1  0.476  0.686  0.403  1.0
  O  O14  1  0.248  0.308  0.049  1.0
  O  O15  1  0.886  0.589  0.354  1.0
  O  O16  1  0.993  0.800  0.724  1.0
  O  O17  1  0.509  0.116  0.088  1.0
  O  O18  1  0.049  0.248  0.308  1.0
  O  O19  1  0.686  0.403  0.476  1.0
  O  O20  1  0.403  0.476  0.686  1.0
  O  O21  1  0.308  0.049  0.248  1.0
  O  O22  1  0.116  0.088  0.509  1.0
  O  O23  1  0.589  0.354  0.886  1.0
  O  O24  1  0.724  0.993  0.800  1.0
[/CIF]
.