The compound described by CeB3O6 crystallizes in the orthorhombic Pca2_1 space group. Ce(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and three equivalent O(4) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ce(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one B(3) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ce(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.316
_cell_length_b   4.500
_cell_length_c   18.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.545
_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
  Ce  Ce0  1  0.863  0.198  0.341  1.0
  Ce  Ce1  1  0.863  0.802  0.841  1.0
  Ce  Ce2  1  0.363  0.198  0.159  1.0
  Ce  Ce3  1  0.363  0.802  0.659  1.0
  B  B4  1  0.318  0.177  0.502  1.0
  B  B5  1  0.862  0.646  0.213  1.0
  B  B6  1  0.344  0.325  0.927  1.0
  B  B7  1  0.844  0.675  0.073  1.0
  B  B8  1  0.344  0.675  0.427  1.0
  B  B9  1  0.818  0.823  0.498  1.0
  B  B10  1  0.362  0.354  0.787  1.0
  B  B11  1  0.362  0.646  0.287  1.0
  B  B12  1  0.862  0.354  0.713  1.0
  B  B13  1  0.318  0.823  0.002  1.0
  B  B14  1  0.844  0.325  0.573  1.0
  B  B15  1  0.818  0.177  0.998  1.0
  O  O16  1  0.234  0.232  0.856  1.0
  O  O17  1  0.269  0.362  0.439  1.0
  O  O18  1  0.178  0.267  0.568  1.0
  O  O19  1  0.769  0.638  0.561  1.0
  O  O20  1  0.856  0.323  0.209  1.0
  O  O21  1  0.182  0.246  0.724  1.0
  O  O22  1  0.769  0.362  0.061  1.0
  O  O23  1  0.174  0.129  0.984  1.0
  O  O24  1  0.678  0.267  0.932  1.0
  O  O25  1  0.734  0.232  0.644  1.0
  O  O26  1  0.182  0.754  0.224  1.0
  O  O27  1  0.174  0.871  0.484  1.0
  O  O28  1  0.269  0.638  0.939  1.0
  O  O29  1  0.682  0.246  0.776  1.0
  O  O30  1  0.356  0.677  0.791  1.0
  O  O31  1  0.356  0.323  0.291  1.0
  O  O32  1  0.234  0.768  0.356  1.0
  O  O33  1  0.856  0.677  0.709  1.0
  O  O34  1  0.734  0.768  0.144  1.0
  O  O35  1  0.674  0.129  0.516  1.0
  O  O36  1  0.678  0.733  0.432  1.0
  O  O37  1  0.674  0.871  0.016  1.0
  O  O38  1  0.682  0.754  0.276  1.0
  O  O39  1  0.178  0.733  0.068  1.0
[/CIF]
.
The compound described by CeB3O6 crystallizes in the orthorhombic Pca2_1 space group. Ce(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and three equivalent O(4) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ce(1) and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one B(3) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ce(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.316
_cell_length_b   4.500
_cell_length_c   18.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.545
_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
  Ce  Ce0  1  0.863  0.198  0.341  1.0
  Ce  Ce1  1  0.863  0.802  0.841  1.0
  Ce  Ce2  1  0.363  0.198  0.159  1.0
  Ce  Ce3  1  0.363  0.802  0.659  1.0
  B  B4  1  0.318  0.177  0.502  1.0
  B  B5  1  0.862  0.646  0.213  1.0
  B  B6  1  0.344  0.325  0.927  1.0
  B  B7  1  0.844  0.675  0.073  1.0
  B  B8  1  0.344  0.675  0.427  1.0
  B  B9  1  0.818  0.823  0.498  1.0
  B  B10  1  0.362  0.354  0.787  1.0
  B  B11  1  0.362  0.646  0.287  1.0
  B  B12  1  0.862  0.354  0.713  1.0
  B  B13  1  0.318  0.823  0.002  1.0
  B  B14  1  0.844  0.325  0.573  1.0
  B  B15  1  0.818  0.177  0.998  1.0
  O  O16  1  0.234  0.232  0.856  1.0
  O  O17  1  0.269  0.362  0.439  1.0
  O  O18  1  0.178  0.267  0.568  1.0
  O  O19  1  0.769  0.638  0.561  1.0
  O  O20  1  0.856  0.323  0.209  1.0
  O  O21  1  0.182  0.246  0.724  1.0
  O  O22  1  0.769  0.362  0.061  1.0
  O  O23  1  0.174  0.129  0.984  1.0
  O  O24  1  0.678  0.267  0.932  1.0
  O  O25  1  0.734  0.232  0.644  1.0
  O  O26  1  0.182  0.754  0.224  1.0
  O  O27  1  0.174  0.871  0.484  1.0
  O  O28  1  0.269  0.638  0.939  1.0
  O  O29  1  0.682  0.246  0.776  1.0
  O  O30  1  0.356  0.677  0.791  1.0
  O  O31  1  0.356  0.323  0.291  1.0
  O  O32  1  0.234  0.768  0.356  1.0
  O  O33  1  0.856  0.677  0.709  1.0
  O  O34  1  0.734  0.768  0.144  1.0
  O  O35  1  0.674  0.129  0.516  1.0
  O  O36  1  0.678  0.733  0.432  1.0
  O  O37  1  0.674  0.871  0.016  1.0
  O  O38  1  0.682  0.754  0.276  1.0
  O  O39  1  0.178  0.733  0.068  1.0
[/CIF]
.