The crystal structure described by Rb3LuO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Lu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing LuO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Lu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(3), two equivalent Rb(1), and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Rb3LuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   7.113
_cell_angle_alpha   84.738
_cell_angle_beta   84.738
_cell_angle_gamma   115.622
_symmetry_Int_Tables_number   1
_cell_volume   322.283
_cell_formula_units_Z   2
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  0.797  0.203  0.500  1.0
  Rb  Rb1  1  0.739  0.261  0.000  1.0
  Rb  Rb2  1  0.636  0.636  0.643  1.0
  Rb  Rb3  1  0.364  0.364  0.357  1.0
  Rb  Rb4  1  0.261  0.739  0.000  1.0
  Rb  Rb5  1  0.203  0.797  0.500  1.0
  Lu  Lu6  1  0.825  0.825  0.148  1.0
  Lu  Lu7  1  0.175  0.175  0.852  1.0
  O  O8  1  0.836  0.559  0.268  1.0
  O  O9  1  0.899  0.899  0.846  1.0
  O  O10  1  0.441  0.164  0.732  1.0
  O  O11  1  0.559  0.836  0.268  1.0
  O  O12  1  0.101  0.101  0.154  1.0
  O  O13  1  0.164  0.441  0.732  1.0
[/CIF]
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The crystal structure described by Rb3LuO3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Lu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form edge-sharing LuO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Lu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(3), two equivalent Rb(1), and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Rb3LuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   7.113
_cell_angle_alpha   84.738
_cell_angle_beta   84.738
_cell_angle_gamma   115.622
_symmetry_Int_Tables_number   1
_cell_volume   322.283
_cell_formula_units_Z   2
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  0.797  0.203  0.500  1.0
  Rb  Rb1  1  0.739  0.261  0.000  1.0
  Rb  Rb2  1  0.636  0.636  0.643  1.0
  Rb  Rb3  1  0.364  0.364  0.357  1.0
  Rb  Rb4  1  0.261  0.739  0.000  1.0
  Rb  Rb5  1  0.203  0.797  0.500  1.0
  Lu  Lu6  1  0.825  0.825  0.148  1.0
  Lu  Lu7  1  0.175  0.175  0.852  1.0
  O  O8  1  0.836  0.559  0.268  1.0
  O  O9  1  0.899  0.899  0.846  1.0
  O  O10  1  0.441  0.164  0.732  1.0
  O  O11  1  0.559  0.836  0.268  1.0
  O  O12  1  0.101  0.101  0.154  1.0
  O  O13  1  0.164  0.441  0.732  1.0
[/CIF]
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