The material described by ErBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ErO8 hexagonal bipyramids that share corners with two equivalent Er(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Er(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. In the second Er site, Er(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 ErO8 hexagonal bipyramids that share  a cornercorner with one Er(1)O8 hexagonal bipyramid,  a cornercorner with one Er(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Er(1)O8 hexagonal bipyramids, edges with three equivalent Er(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 Er(1)O8 hexagonal bipyramid,  a cornercorner with one Er(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Er(1)O8 hexagonal bipyramid, and edges with three equivalent Er(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 Er(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Er(1)O8 hexagonal bipyramids, and edges with two equivalent Er(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 Er(1), two equivalent Er(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Er(1), one Er(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 Er(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Er(1), two equivalent Er(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Er(1), two equivalent Er(2), and one B(1) atom. is represented by the CIF file [CIF]
data_ErBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.471
_cell_length_b   6.471
_cell_length_c   9.486
_cell_angle_alpha   70.426
_cell_angle_beta   70.426
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   317.462
_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
  Er  Er0  1  0.000  0.500  0.500  1.0
  Er  Er1  1  0.500  0.000  0.000  1.0
  Er  Er2  1  0.171  0.658  0.999  1.0
  Er  Er3  1  0.342  0.829  0.501  1.0
  Er  Er4  1  0.829  0.342  0.001  1.0
  Er  Er5  1  0.658  0.171  0.499  1.0
  B  B6  1  0.918  0.841  0.747  1.0
  B  B7  1  0.159  0.082  0.753  1.0
  B  B8  1  0.082  0.159  0.253  1.0
  B  B9  1  0.841  0.918  0.247  1.0
  B  B10  1  0.674  0.326  0.750  1.0
  B  B11  1  0.326  0.674  0.250  1.0
  O  O12  1  0.967  0.782  0.601  1.0
  O  O13  1  0.218  0.033  0.899  1.0
  O  O14  1  0.033  0.218  0.399  1.0
  O  O15  1  0.782  0.967  0.101  1.0
  O  O16  1  0.870  0.683  0.889  1.0
  O  O17  1  0.317  0.130  0.611  1.0
  O  O18  1  0.130  0.317  0.111  1.0
  O  O19  1  0.683  0.870  0.389  1.0
  O  O20  1  0.516  0.387  0.893  1.0
  O  O21  1  0.613  0.484  0.607  1.0
  O  O22  1  0.484  0.613  0.107  1.0
  O  O23  1  0.387  0.516  0.393  1.0
  O  O24  1  0.917  0.301  0.752  1.0
  O  O25  1  0.699  0.083  0.748  1.0
  O  O26  1  0.083  0.699  0.248  1.0
  O  O27  1  0.301  0.917  0.252  1.0
  O  O28  1  0.136  0.864  0.750  1.0
  O  O29  1  0.864  0.136  0.250  1.0
[/CIF]
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The material described by ErBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form ErO8 hexagonal bipyramids that share corners with two equivalent Er(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Er(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. In the second Er site, Er(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 ErO8 hexagonal bipyramids that share  a cornercorner with one Er(1)O8 hexagonal bipyramid,  a cornercorner with one Er(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Er(1)O8 hexagonal bipyramids, edges with three equivalent Er(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 Er(1)O8 hexagonal bipyramid,  a cornercorner with one Er(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Er(1)O8 hexagonal bipyramid, and edges with three equivalent Er(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 Er(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Er(1)O8 hexagonal bipyramids, and edges with two equivalent Er(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 Er(1), two equivalent Er(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Er(1), one Er(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 Er(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Er(1), two equivalent Er(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Er(1), two equivalent Er(2), and one B(1) atom. is represented by the CIF file [CIF]
data_ErBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.471
_cell_length_b   6.471
_cell_length_c   9.486
_cell_angle_alpha   70.426
_cell_angle_beta   70.426
_cell_angle_gamma   60.080
_symmetry_Int_Tables_number   1
_cell_volume   317.462
_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
  Er  Er0  1  0.000  0.500  0.500  1.0
  Er  Er1  1  0.500  0.000  0.000  1.0
  Er  Er2  1  0.171  0.658  0.999  1.0
  Er  Er3  1  0.342  0.829  0.501  1.0
  Er  Er4  1  0.829  0.342  0.001  1.0
  Er  Er5  1  0.658  0.171  0.499  1.0
  B  B6  1  0.918  0.841  0.747  1.0
  B  B7  1  0.159  0.082  0.753  1.0
  B  B8  1  0.082  0.159  0.253  1.0
  B  B9  1  0.841  0.918  0.247  1.0
  B  B10  1  0.674  0.326  0.750  1.0
  B  B11  1  0.326  0.674  0.250  1.0
  O  O12  1  0.967  0.782  0.601  1.0
  O  O13  1  0.218  0.033  0.899  1.0
  O  O14  1  0.033  0.218  0.399  1.0
  O  O15  1  0.782  0.967  0.101  1.0
  O  O16  1  0.870  0.683  0.889  1.0
  O  O17  1  0.317  0.130  0.611  1.0
  O  O18  1  0.130  0.317  0.111  1.0
  O  O19  1  0.683  0.870  0.389  1.0
  O  O20  1  0.516  0.387  0.893  1.0
  O  O21  1  0.613  0.484  0.607  1.0
  O  O22  1  0.484  0.613  0.107  1.0
  O  O23  1  0.387  0.516  0.393  1.0
  O  O24  1  0.917  0.301  0.752  1.0
  O  O25  1  0.699  0.083  0.748  1.0
  O  O26  1  0.083  0.699  0.248  1.0
  O  O27  1  0.301  0.917  0.252  1.0
  O  O28  1  0.136  0.864  0.750  1.0
  O  O29  1  0.864  0.136  0.250  1.0
[/CIF]
.