The compound described by Li3Gd(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Gd(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Gd(1), and one B(1) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Gd(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Gd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), two equivalent Gd(1), and one B(2) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Gd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li3Gd(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   8.735
_cell_length_c   10.068
_cell_angle_alpha   62.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.409
_cell_formula_units_Z   4
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
  Li  Li0  1  0.563  0.295  0.666  1.0
  Li  Li1  1  0.257  0.395  0.479  1.0
  Li  Li2  1  0.243  0.395  0.979  1.0
  Li  Li3  1  0.757  0.605  0.021  1.0
  Li  Li4  1  0.780  0.164  0.541  1.0
  Li  Li5  1  0.063  0.705  0.834  1.0
  Li  Li6  1  0.437  0.705  0.334  1.0
  Li  Li7  1  0.220  0.836  0.459  1.0
  Li  Li8  1  0.743  0.605  0.521  1.0
  Li  Li9  1  0.280  0.836  0.959  1.0
  Li  Li10  1  0.720  0.164  0.041  1.0
  Li  Li11  1  0.937  0.295  0.166  1.0
  Gd  Gd12  1  0.973  0.818  0.200  1.0
  Gd  Gd13  1  0.473  0.182  0.300  1.0
  Gd  Gd14  1  0.027  0.182  0.800  1.0
  Gd  Gd15  1  0.527  0.818  0.700  1.0
  B  B16  1  0.663  0.460  0.323  1.0
  B  B17  1  0.670  0.948  0.893  1.0
  B  B18  1  0.337  0.540  0.677  1.0
  B  B19  1  0.837  0.460  0.823  1.0
  B  B20  1  0.170  0.052  0.607  1.0
  B  B21  1  0.330  0.052  0.107  1.0
  B  B22  1  0.163  0.540  0.177  1.0
  B  B23  1  0.830  0.948  0.393  1.0
  O  O24  1  0.709  0.618  0.312  1.0
  O  O25  1  0.441  0.664  0.551  1.0
  O  O26  1  0.783  0.991  0.987  1.0
  O  O27  1  0.291  0.382  0.688  1.0
  O  O28  1  0.821  0.060  0.242  1.0
  O  O29  1  0.209  0.382  0.188  1.0
  O  O30  1  0.559  0.336  0.449  1.0
  O  O31  1  0.711  0.411  0.213  1.0
  O  O32  1  0.941  0.336  0.949  1.0
  O  O33  1  0.059  0.664  0.051  1.0
  O  O34  1  0.283  0.009  0.513  1.0
  O  O35  1  0.217  0.009  0.013  1.0
  O  O36  1  0.436  0.204  0.059  1.0
  O  O37  1  0.791  0.618  0.812  1.0
  O  O38  1  0.789  0.411  0.713  1.0
  O  O39  1  0.936  0.796  0.441  1.0
  O  O40  1  0.321  0.940  0.258  1.0
  O  O41  1  0.564  0.796  0.941  1.0
  O  O42  1  0.179  0.940  0.758  1.0
  O  O43  1  0.289  0.589  0.787  1.0
  O  O44  1  0.211  0.589  0.287  1.0
  O  O45  1  0.717  0.991  0.487  1.0
  O  O46  1  0.064  0.204  0.559  1.0
  O  O47  1  0.679  0.060  0.742  1.0
[/CIF]
.
The compound described by Li3Gd(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(3), one Gd(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Gd(1), and one B(1) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Gd(1), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Gd(1), and one B(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), two equivalent Gd(1), and one B(2) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Gd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li3Gd(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   8.735
_cell_length_c   10.068
_cell_angle_alpha   62.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   499.409
_cell_formula_units_Z   4
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
  Li  Li0  1  0.563  0.295  0.666  1.0
  Li  Li1  1  0.257  0.395  0.479  1.0
  Li  Li2  1  0.243  0.395  0.979  1.0
  Li  Li3  1  0.757  0.605  0.021  1.0
  Li  Li4  1  0.780  0.164  0.541  1.0
  Li  Li5  1  0.063  0.705  0.834  1.0
  Li  Li6  1  0.437  0.705  0.334  1.0
  Li  Li7  1  0.220  0.836  0.459  1.0
  Li  Li8  1  0.743  0.605  0.521  1.0
  Li  Li9  1  0.280  0.836  0.959  1.0
  Li  Li10  1  0.720  0.164  0.041  1.0
  Li  Li11  1  0.937  0.295  0.166  1.0
  Gd  Gd12  1  0.973  0.818  0.200  1.0
  Gd  Gd13  1  0.473  0.182  0.300  1.0
  Gd  Gd14  1  0.027  0.182  0.800  1.0
  Gd  Gd15  1  0.527  0.818  0.700  1.0
  B  B16  1  0.663  0.460  0.323  1.0
  B  B17  1  0.670  0.948  0.893  1.0
  B  B18  1  0.337  0.540  0.677  1.0
  B  B19  1  0.837  0.460  0.823  1.0
  B  B20  1  0.170  0.052  0.607  1.0
  B  B21  1  0.330  0.052  0.107  1.0
  B  B22  1  0.163  0.540  0.177  1.0
  B  B23  1  0.830  0.948  0.393  1.0
  O  O24  1  0.709  0.618  0.312  1.0
  O  O25  1  0.441  0.664  0.551  1.0
  O  O26  1  0.783  0.991  0.987  1.0
  O  O27  1  0.291  0.382  0.688  1.0
  O  O28  1  0.821  0.060  0.242  1.0
  O  O29  1  0.209  0.382  0.188  1.0
  O  O30  1  0.559  0.336  0.449  1.0
  O  O31  1  0.711  0.411  0.213  1.0
  O  O32  1  0.941  0.336  0.949  1.0
  O  O33  1  0.059  0.664  0.051  1.0
  O  O34  1  0.283  0.009  0.513  1.0
  O  O35  1  0.217  0.009  0.013  1.0
  O  O36  1  0.436  0.204  0.059  1.0
  O  O37  1  0.791  0.618  0.812  1.0
  O  O38  1  0.789  0.411  0.713  1.0
  O  O39  1  0.936  0.796  0.441  1.0
  O  O40  1  0.321  0.940  0.258  1.0
  O  O41  1  0.564  0.796  0.941  1.0
  O  O42  1  0.179  0.940  0.758  1.0
  O  O43  1  0.289  0.589  0.787  1.0
  O  O44  1  0.211  0.589  0.287  1.0
  O  O45  1  0.717  0.991  0.487  1.0
  O  O46  1  0.064  0.204  0.559  1.0
  O  O47  1  0.679  0.060  0.742  1.0
[/CIF]
.