The material described by GdBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GdO8 hexagonal bipyramids that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. In the second Gd site, Gd(2) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO8 hexagonal bipyramids that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Gd(1)O8 hexagonal bipyramids, edges with three equivalent Gd(2)O8 hexagonal bipyramids,  an edgeedge with one B(2)O4 tetrahedra, and edges with three equivalent B(1)O4 tetrahedra. There are two 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 BO4 tetrahedra that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Gd(1)O8 hexagonal bipyramid, and edges with three equivalent Gd(2)O8 hexagonal bipyramids. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one B(1), and one B(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Gd(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. is represented by the CIF card [CIF]
data_GdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   9.682
_cell_angle_alpha   70.335
_cell_angle_beta   70.335
_cell_angle_gamma   60.092
_symmetry_Int_Tables_number   1
_cell_volume   339.925
_cell_formula_units_Z   6
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
  Gd  Gd0  1  0.000  0.500  0.500  1.0
  Gd  Gd1  1  0.500  1.000  0.000  1.0
  Gd  Gd2  1  0.829  0.343  0.001  1.0
  Gd  Gd3  1  0.657  0.171  0.499  1.0
  Gd  Gd4  1  0.171  0.657  0.999  1.0
  Gd  Gd5  1  0.343  0.829  0.501  1.0
  B  B6  1  0.083  0.155  0.253  1.0
  B  B7  1  0.845  0.917  0.247  1.0
  B  B8  1  0.917  0.845  0.747  1.0
  B  B9  1  0.155  0.083  0.753  1.0
  B  B10  1  0.321  0.679  0.250  1.0
  B  B11  1  0.679  0.321  0.750  1.0
  O  O12  1  0.035  0.217  0.394  1.0
  O  O13  1  0.783  0.965  0.106  1.0
  O  O14  1  0.965  0.783  0.606  1.0
  O  O15  1  0.217  0.035  0.894  1.0
  O  O16  1  0.130  0.312  0.113  1.0
  O  O17  1  0.688  0.870  0.387  1.0
  O  O18  1  0.870  0.688  0.887  1.0
  O  O19  1  0.312  0.130  0.613  1.0
  O  O20  1  0.479  0.616  0.110  1.0
  O  O21  1  0.384  0.521  0.390  1.0
  O  O22  1  0.521  0.384  0.890  1.0
  O  O23  1  0.616  0.479  0.610  1.0
  O  O24  1  0.084  0.704  0.248  1.0
  O  O25  1  0.296  0.916  0.252  1.0
  O  O26  1  0.916  0.296  0.752  1.0
  O  O27  1  0.704  0.084  0.748  1.0
  O  O28  1  0.869  0.131  0.250  1.0
  O  O29  1  0.131  0.869  0.750  1.0
[/CIF]
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The material described by GdBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GdO8 hexagonal bipyramids that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. In the second Gd site, Gd(2) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO8 hexagonal bipyramids that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Gd(1)O8 hexagonal bipyramids, edges with three equivalent Gd(2)O8 hexagonal bipyramids,  an edgeedge with one B(2)O4 tetrahedra, and edges with three equivalent B(1)O4 tetrahedra. There are two 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 BO4 tetrahedra that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Gd(1)O8 hexagonal bipyramid, and edges with three equivalent Gd(2)O8 hexagonal bipyramids. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one B(1), and one B(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Gd(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. is represented by the CIF card [CIF]
data_GdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.630
_cell_length_b   6.630
_cell_length_c   9.682
_cell_angle_alpha   70.335
_cell_angle_beta   70.335
_cell_angle_gamma   60.092
_symmetry_Int_Tables_number   1
_cell_volume   339.925
_cell_formula_units_Z   6
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
  Gd  Gd0  1  0.000  0.500  0.500  1.0
  Gd  Gd1  1  0.500  1.000  0.000  1.0
  Gd  Gd2  1  0.829  0.343  0.001  1.0
  Gd  Gd3  1  0.657  0.171  0.499  1.0
  Gd  Gd4  1  0.171  0.657  0.999  1.0
  Gd  Gd5  1  0.343  0.829  0.501  1.0
  B  B6  1  0.083  0.155  0.253  1.0
  B  B7  1  0.845  0.917  0.247  1.0
  B  B8  1  0.917  0.845  0.747  1.0
  B  B9  1  0.155  0.083  0.753  1.0
  B  B10  1  0.321  0.679  0.250  1.0
  B  B11  1  0.679  0.321  0.750  1.0
  O  O12  1  0.035  0.217  0.394  1.0
  O  O13  1  0.783  0.965  0.106  1.0
  O  O14  1  0.965  0.783  0.606  1.0
  O  O15  1  0.217  0.035  0.894  1.0
  O  O16  1  0.130  0.312  0.113  1.0
  O  O17  1  0.688  0.870  0.387  1.0
  O  O18  1  0.870  0.688  0.887  1.0
  O  O19  1  0.312  0.130  0.613  1.0
  O  O20  1  0.479  0.616  0.110  1.0
  O  O21  1  0.384  0.521  0.390  1.0
  O  O22  1  0.521  0.384  0.890  1.0
  O  O23  1  0.616  0.479  0.610  1.0
  O  O24  1  0.084  0.704  0.248  1.0
  O  O25  1  0.296  0.916  0.252  1.0
  O  O26  1  0.916  0.296  0.752  1.0
  O  O27  1  0.704  0.084  0.748  1.0
  O  O28  1  0.869  0.131  0.250  1.0
  O  O29  1  0.131  0.869  0.750  1.0
[/CIF]
.