The material structure described by CeMoBO6 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), two equivalent O(3), and three equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. B(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ce(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ce(1) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Ce(1) and one B(1) atom. is represented by the CIF file [CIF]
data_CeBMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.174
_cell_length_b   10.326
_cell_length_c   12.062
_cell_angle_alpha   63.854
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.706
_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  0.215  0.802  0.032  1.0
  Ce  Ce1  1  0.785  0.198  0.968  1.0
  Ce  Ce2  1  0.285  0.802  0.532  1.0
  Ce  Ce3  1  0.715  0.198  0.468  1.0
  B  B4  1  0.834  0.996  0.309  1.0
  B  B5  1  0.334  0.004  0.191  1.0
  B  B6  1  0.666  0.996  0.809  1.0
  B  B7  1  0.166  0.004  0.691  1.0
  Mo  Mo8  1  0.807  0.645  0.319  1.0
  Mo  Mo9  1  0.193  0.355  0.681  1.0
  Mo  Mo10  1  0.307  0.355  0.181  1.0
  Mo  Mo11  1  0.693  0.645  0.819  1.0
  O  O12  1  0.767  0.455  0.893  1.0
  O  O13  1  0.775  0.736  0.915  1.0
  O  O14  1  0.275  0.264  0.585  1.0
  O  O15  1  0.777  0.744  0.650  1.0
  O  O16  1  0.225  0.264  0.085  1.0
  O  O17  1  0.660  0.031  0.200  1.0
  O  O18  1  0.735  0.338  0.198  1.0
  O  O19  1  0.840  0.031  0.700  1.0
  O  O20  1  0.270  0.003  0.586  1.0
  O  O21  1  0.223  0.256  0.350  1.0
  O  O22  1  0.340  0.969  0.800  1.0
  O  O23  1  0.725  0.736  0.415  1.0
  O  O24  1  0.235  0.662  0.302  1.0
  O  O25  1  0.730  0.997  0.414  1.0
  O  O26  1  0.765  0.338  0.698  1.0
  O  O27  1  0.770  0.997  0.914  1.0
  O  O28  1  0.733  0.455  0.393  1.0
  O  O29  1  0.233  0.545  0.107  1.0
  O  O30  1  0.160  0.969  0.300  1.0
  O  O31  1  0.230  0.003  0.086  1.0
  O  O32  1  0.277  0.256  0.850  1.0
  O  O33  1  0.265  0.662  0.802  1.0
  O  O34  1  0.723  0.744  0.150  1.0
  O  O35  1  0.267  0.545  0.607  1.0
[/CIF]
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The material structure described by CeMoBO6 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), two equivalent O(3), and three equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. B(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ce(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ce(1) and two equivalent B(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ce(1) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Ce(1) and one B(1) atom. is represented by the CIF file [CIF]
data_CeBMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.174
_cell_length_b   10.326
_cell_length_c   12.062
_cell_angle_alpha   63.854
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.706
_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  0.215  0.802  0.032  1.0
  Ce  Ce1  1  0.785  0.198  0.968  1.0
  Ce  Ce2  1  0.285  0.802  0.532  1.0
  Ce  Ce3  1  0.715  0.198  0.468  1.0
  B  B4  1  0.834  0.996  0.309  1.0
  B  B5  1  0.334  0.004  0.191  1.0
  B  B6  1  0.666  0.996  0.809  1.0
  B  B7  1  0.166  0.004  0.691  1.0
  Mo  Mo8  1  0.807  0.645  0.319  1.0
  Mo  Mo9  1  0.193  0.355  0.681  1.0
  Mo  Mo10  1  0.307  0.355  0.181  1.0
  Mo  Mo11  1  0.693  0.645  0.819  1.0
  O  O12  1  0.767  0.455  0.893  1.0
  O  O13  1  0.775  0.736  0.915  1.0
  O  O14  1  0.275  0.264  0.585  1.0
  O  O15  1  0.777  0.744  0.650  1.0
  O  O16  1  0.225  0.264  0.085  1.0
  O  O17  1  0.660  0.031  0.200  1.0
  O  O18  1  0.735  0.338  0.198  1.0
  O  O19  1  0.840  0.031  0.700  1.0
  O  O20  1  0.270  0.003  0.586  1.0
  O  O21  1  0.223  0.256  0.350  1.0
  O  O22  1  0.340  0.969  0.800  1.0
  O  O23  1  0.725  0.736  0.415  1.0
  O  O24  1  0.235  0.662  0.302  1.0
  O  O25  1  0.730  0.997  0.414  1.0
  O  O26  1  0.765  0.338  0.698  1.0
  O  O27  1  0.770  0.997  0.914  1.0
  O  O28  1  0.733  0.455  0.393  1.0
  O  O29  1  0.233  0.545  0.107  1.0
  O  O30  1  0.160  0.969  0.300  1.0
  O  O31  1  0.230  0.003  0.086  1.0
  O  O32  1  0.277  0.256  0.850  1.0
  O  O33  1  0.265  0.662  0.802  1.0
  O  O34  1  0.723  0.744  0.150  1.0
  O  O35  1  0.267  0.545  0.607  1.0
[/CIF]
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