The structure described by Lu4(B2O5)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(2), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing BO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent B(2) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Lu(2), one B(1), and one B(2) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Lu(1), one Lu(2), one B(1), and one B(3) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(2), one B(1), and one B(3) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(1) atom. In the seventh O site, O(6) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(2) atom. In the eighth O site, O(7) is bonded in a distorted L-shaped geometry to two equivalent Lu(2) and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.181
_cell_length_b   6.181
_cell_length_c   18.677
_cell_angle_alpha   84.184
_cell_angle_beta   84.184
_cell_angle_gamma   41.435
_symmetry_Int_Tables_number   1
_cell_volume   469.437
_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  0.657  0.068  0.302  1.0
  Lu  Lu1  1  0.669  0.063  0.100  1.0
  Lu  Lu2  1  0.068  0.657  0.802  1.0
  Lu  Lu3  1  0.063  0.669  0.600  1.0
  Lu  Lu4  1  0.937  0.331  0.400  1.0
  Lu  Lu5  1  0.932  0.343  0.198  1.0
  Lu  Lu6  1  0.331  0.937  0.900  1.0
  Lu  Lu7  1  0.343  0.932  0.698  1.0
  B  B8  1  0.197  0.609  0.413  1.0
  B  B9  1  0.204  0.659  0.194  1.0
  B  B10  1  0.642  0.021  0.475  1.0
  B  B11  1  0.609  0.197  0.913  1.0
  B  B12  1  0.659  0.204  0.694  1.0
  B  B13  1  0.021  0.642  0.975  1.0
  B  B14  1  0.979  0.358  0.025  1.0
  B  B15  1  0.341  0.796  0.306  1.0
  B  B16  1  0.391  0.803  0.087  1.0
  B  B17  1  0.358  0.979  0.525  1.0
  B  B18  1  0.796  0.341  0.806  1.0
  B  B19  1  0.803  0.391  0.587  1.0
  O  O20  1  0.157  0.813  0.121  1.0
  O  O21  1  0.546  0.287  0.429  1.0
  O  O22  1  0.535  0.333  0.197  1.0
  O  O23  1  0.997  0.750  0.481  1.0
  O  O24  1  0.813  0.157  0.621  1.0
  O  O25  1  0.287  0.546  0.929  1.0
  O  O26  1  0.071  0.565  0.361  1.0
  O  O27  1  0.333  0.535  0.697  1.0
  O  O28  1  0.750  0.997  0.981  1.0
  O  O29  1  0.948  0.684  0.204  1.0
  O  O30  1  0.091  0.493  0.050  1.0
  O  O31  1  0.507  0.909  0.450  1.0
  O  O32  1  0.565  0.071  0.861  1.0
  O  O33  1  0.684  0.948  0.704  1.0
  O  O34  1  0.316  0.052  0.296  1.0
  O  O35  1  0.435  0.929  0.139  1.0
  O  O36  1  0.493  0.091  0.550  1.0
  O  O37  1  0.909  0.507  0.950  1.0
  O  O38  1  0.052  0.316  0.796  1.0
  O  O39  1  0.250  0.003  0.019  1.0
  O  O40  1  0.667  0.465  0.303  1.0
  O  O41  1  0.929  0.435  0.639  1.0
  O  O42  1  0.713  0.454  0.071  1.0
  O  O43  1  0.187  0.843  0.379  1.0
  O  O44  1  0.130  0.870  0.250  1.0
  O  O45  1  0.003  0.250  0.519  1.0
  O  O46  1  0.465  0.667  0.803  1.0
  O  O47  1  0.454  0.713  0.571  1.0
  O  O48  1  0.843  0.187  0.879  1.0
  O  O49  1  0.870  0.130  0.750  1.0
[/CIF]
.
The structure described by Lu4(B2O5)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(2), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing BO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent B(2) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Lu(2), one B(1), and one B(2) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Lu(1), one Lu(2), one B(1), and one B(3) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(2), one B(1), and one B(3) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(1) atom. In the seventh O site, O(6) is bonded in a 4-coordinate geometry to one Lu(2), two equivalent Lu(1), and one B(2) atom. In the eighth O site, O(7) is bonded in a distorted L-shaped geometry to two equivalent Lu(2) and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4(B2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.181
_cell_length_b   6.181
_cell_length_c   18.677
_cell_angle_alpha   84.184
_cell_angle_beta   84.184
_cell_angle_gamma   41.435
_symmetry_Int_Tables_number   1
_cell_volume   469.437
_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  0.657  0.068  0.302  1.0
  Lu  Lu1  1  0.669  0.063  0.100  1.0
  Lu  Lu2  1  0.068  0.657  0.802  1.0
  Lu  Lu3  1  0.063  0.669  0.600  1.0
  Lu  Lu4  1  0.937  0.331  0.400  1.0
  Lu  Lu5  1  0.932  0.343  0.198  1.0
  Lu  Lu6  1  0.331  0.937  0.900  1.0
  Lu  Lu7  1  0.343  0.932  0.698  1.0
  B  B8  1  0.197  0.609  0.413  1.0
  B  B9  1  0.204  0.659  0.194  1.0
  B  B10  1  0.642  0.021  0.475  1.0
  B  B11  1  0.609  0.197  0.913  1.0
  B  B12  1  0.659  0.204  0.694  1.0
  B  B13  1  0.021  0.642  0.975  1.0
  B  B14  1  0.979  0.358  0.025  1.0
  B  B15  1  0.341  0.796  0.306  1.0
  B  B16  1  0.391  0.803  0.087  1.0
  B  B17  1  0.358  0.979  0.525  1.0
  B  B18  1  0.796  0.341  0.806  1.0
  B  B19  1  0.803  0.391  0.587  1.0
  O  O20  1  0.157  0.813  0.121  1.0
  O  O21  1  0.546  0.287  0.429  1.0
  O  O22  1  0.535  0.333  0.197  1.0
  O  O23  1  0.997  0.750  0.481  1.0
  O  O24  1  0.813  0.157  0.621  1.0
  O  O25  1  0.287  0.546  0.929  1.0
  O  O26  1  0.071  0.565  0.361  1.0
  O  O27  1  0.333  0.535  0.697  1.0
  O  O28  1  0.750  0.997  0.981  1.0
  O  O29  1  0.948  0.684  0.204  1.0
  O  O30  1  0.091  0.493  0.050  1.0
  O  O31  1  0.507  0.909  0.450  1.0
  O  O32  1  0.565  0.071  0.861  1.0
  O  O33  1  0.684  0.948  0.704  1.0
  O  O34  1  0.316  0.052  0.296  1.0
  O  O35  1  0.435  0.929  0.139  1.0
  O  O36  1  0.493  0.091  0.550  1.0
  O  O37  1  0.909  0.507  0.950  1.0
  O  O38  1  0.052  0.316  0.796  1.0
  O  O39  1  0.250  0.003  0.019  1.0
  O  O40  1  0.667  0.465  0.303  1.0
  O  O41  1  0.929  0.435  0.639  1.0
  O  O42  1  0.713  0.454  0.071  1.0
  O  O43  1  0.187  0.843  0.379  1.0
  O  O44  1  0.130  0.870  0.250  1.0
  O  O45  1  0.003  0.250  0.519  1.0
  O  O46  1  0.465  0.667  0.803  1.0
  O  O47  1  0.454  0.713  0.571  1.0
  O  O48  1  0.843  0.187  0.879  1.0
  O  O49  1  0.870  0.130  0.750  1.0
[/CIF]
.