The crystal structure described by Rb2CeBr5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ce(1) is bonded to one Br(1), one Br(3), one Br(4), and four equivalent Br(2) atoms to form distorted edge-sharing CeBr7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted corner and edge-sharing BrRb4Ce trigonal bipyramids. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ce(1) atoms. In the third Br site, Br(3) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Ce trigonal bipyramids. In the fourth Br site, Br(4) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Ce trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2CeBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.644
_cell_length_b   9.454
_cell_length_c   13.763
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1124.672
_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
  Rb  Rb0  1  0.940  0.006  0.829  1.0
  Rb  Rb1  1  0.060  0.994  0.171  1.0
  Rb  Rb2  1  0.440  0.994  0.671  1.0
  Rb  Rb3  1  0.060  0.506  0.171  1.0
  Rb  Rb4  1  0.560  0.006  0.329  1.0
  Rb  Rb5  1  0.940  0.494  0.829  1.0
  Rb  Rb6  1  0.560  0.494  0.329  1.0
  Rb  Rb7  1  0.440  0.506  0.671  1.0
  Ce  Ce8  1  0.925  0.750  0.506  1.0
  Ce  Ce9  1  0.075  0.250  0.494  1.0
  Ce  Ce10  1  0.425  0.250  0.994  1.0
  Ce  Ce11  1  0.575  0.750  0.006  1.0
  Br  Br12  1  0.117  0.750  0.682  1.0
  Br  Br13  1  0.883  0.250  0.318  1.0
  Br  Br14  1  0.617  0.250  0.818  1.0
  Br  Br15  1  0.383  0.750  0.182  1.0
  Br  Br16  1  0.831  0.045  0.571  1.0
  Br  Br17  1  0.169  0.955  0.429  1.0
  Br  Br18  1  0.331  0.955  0.929  1.0
  Br  Br19  1  0.169  0.545  0.429  1.0
  Br  Br20  1  0.669  0.045  0.071  1.0
  Br  Br21  1  0.831  0.455  0.571  1.0
  Br  Br22  1  0.669  0.455  0.071  1.0
  Br  Br23  1  0.331  0.545  0.929  1.0
  Br  Br24  1  0.580  0.750  0.509  1.0
  Br  Br25  1  0.420  0.250  0.491  1.0
  Br  Br26  1  0.080  0.250  0.991  1.0
  Br  Br27  1  0.920  0.750  0.009  1.0
  Br  Br28  1  0.657  0.750  0.797  1.0
  Br  Br29  1  0.343  0.250  0.203  1.0
  Br  Br30  1  0.157  0.250  0.703  1.0
  Br  Br31  1  0.843  0.750  0.297  1.0
[/CIF]
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The crystal structure described by Rb2CeBr5 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and two equivalent Br(4) atoms. Ce(1) is bonded to one Br(1), one Br(3), one Br(4), and four equivalent Br(2) atoms to form distorted edge-sharing CeBr7 pentagonal bipyramids. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted corner and edge-sharing BrRb4Ce trigonal bipyramids. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ce(1) atoms. In the third Br site, Br(3) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Ce trigonal bipyramids. In the fourth Br site, Br(4) is bonded to four equivalent Rb(1) and one Ce(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Ce trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2CeBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.644
_cell_length_b   9.454
_cell_length_c   13.763
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1124.672
_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
  Rb  Rb0  1  0.940  0.006  0.829  1.0
  Rb  Rb1  1  0.060  0.994  0.171  1.0
  Rb  Rb2  1  0.440  0.994  0.671  1.0
  Rb  Rb3  1  0.060  0.506  0.171  1.0
  Rb  Rb4  1  0.560  0.006  0.329  1.0
  Rb  Rb5  1  0.940  0.494  0.829  1.0
  Rb  Rb6  1  0.560  0.494  0.329  1.0
  Rb  Rb7  1  0.440  0.506  0.671  1.0
  Ce  Ce8  1  0.925  0.750  0.506  1.0
  Ce  Ce9  1  0.075  0.250  0.494  1.0
  Ce  Ce10  1  0.425  0.250  0.994  1.0
  Ce  Ce11  1  0.575  0.750  0.006  1.0
  Br  Br12  1  0.117  0.750  0.682  1.0
  Br  Br13  1  0.883  0.250  0.318  1.0
  Br  Br14  1  0.617  0.250  0.818  1.0
  Br  Br15  1  0.383  0.750  0.182  1.0
  Br  Br16  1  0.831  0.045  0.571  1.0
  Br  Br17  1  0.169  0.955  0.429  1.0
  Br  Br18  1  0.331  0.955  0.929  1.0
  Br  Br19  1  0.169  0.545  0.429  1.0
  Br  Br20  1  0.669  0.045  0.071  1.0
  Br  Br21  1  0.831  0.455  0.571  1.0
  Br  Br22  1  0.669  0.455  0.071  1.0
  Br  Br23  1  0.331  0.545  0.929  1.0
  Br  Br24  1  0.580  0.750  0.509  1.0
  Br  Br25  1  0.420  0.250  0.491  1.0
  Br  Br26  1  0.080  0.250  0.991  1.0
  Br  Br27  1  0.920  0.750  0.009  1.0
  Br  Br28  1  0.657  0.750  0.797  1.0
  Br  Br29  1  0.343  0.250  0.203  1.0
  Br  Br30  1  0.157  0.250  0.703  1.0
  Br  Br31  1  0.843  0.750  0.297  1.0
[/CIF]
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