The structure described by CeBSiO5 crystallizes in the trigonal P3_1 space group. Ce(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. B(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_CeSiBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   6.852
_cell_length_c   6.692
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   272.100
_cell_formula_units_Z   3
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  0.412  0.412  0.501  1.0
  Ce  Ce1  1  0.000  0.588  0.167  1.0
  Ce  Ce2  1  0.588  1.000  0.834  1.0
  Si  Si3  1  0.415  0.417  0.002  1.0
  Si  Si4  1  0.002  0.585  0.669  1.0
  Si  Si5  1  0.583  0.998  0.335  1.0
  B  B6  1  0.899  0.885  0.473  1.0
  B  B7  1  0.985  0.101  0.140  1.0
  B  B8  1  0.115  0.015  0.806  1.0
  O  O9  1  0.149  0.544  0.504  1.0
  O  O10  1  0.395  0.851  0.171  1.0
  O  O11  1  0.456  0.605  0.838  1.0
  O  O12  1  0.061  0.054  0.607  1.0
  O  O13  1  0.946  0.007  0.940  1.0
  O  O14  1  0.993  0.939  0.274  1.0
  O  O15  1  0.349  0.196  0.859  1.0
  O  O16  1  0.804  0.154  0.192  1.0
  O  O17  1  0.846  0.651  0.525  1.0
  O  O18  1  0.192  0.331  0.148  1.0
  O  O19  1  0.669  0.860  0.482  1.0
  O  O20  1  0.140  0.808  0.815  1.0
  O  O21  1  0.609  0.473  0.163  1.0
  O  O22  1  0.527  0.137  0.496  1.0
  O  O23  1  0.863  0.391  0.829  1.0
[/CIF]
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The structure described by CeBSiO5 crystallizes in the trigonal P3_1 space group. Ce(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. B(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ce(1), one B(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_CeSiBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   6.852
_cell_length_c   6.692
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   272.100
_cell_formula_units_Z   3
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  0.412  0.412  0.501  1.0
  Ce  Ce1  1  0.000  0.588  0.167  1.0
  Ce  Ce2  1  0.588  1.000  0.834  1.0
  Si  Si3  1  0.415  0.417  0.002  1.0
  Si  Si4  1  0.002  0.585  0.669  1.0
  Si  Si5  1  0.583  0.998  0.335  1.0
  B  B6  1  0.899  0.885  0.473  1.0
  B  B7  1  0.985  0.101  0.140  1.0
  B  B8  1  0.115  0.015  0.806  1.0
  O  O9  1  0.149  0.544  0.504  1.0
  O  O10  1  0.395  0.851  0.171  1.0
  O  O11  1  0.456  0.605  0.838  1.0
  O  O12  1  0.061  0.054  0.607  1.0
  O  O13  1  0.946  0.007  0.940  1.0
  O  O14  1  0.993  0.939  0.274  1.0
  O  O15  1  0.349  0.196  0.859  1.0
  O  O16  1  0.804  0.154  0.192  1.0
  O  O17  1  0.846  0.651  0.525  1.0
  O  O18  1  0.192  0.331  0.148  1.0
  O  O19  1  0.669  0.860  0.482  1.0
  O  O20  1  0.140  0.808  0.815  1.0
  O  O21  1  0.609  0.473  0.163  1.0
  O  O22  1  0.527  0.137  0.496  1.0
  O  O23  1  0.863  0.391  0.829  1.0
[/CIF]
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