The crystal structure described by KLu(CO3)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Lu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Lu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), two equivalent Lu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_KLu(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.862
_cell_angle_alpha   76.274
_cell_angle_beta   76.274
_cell_angle_gamma   96.014
_symmetry_Int_Tables_number   1
_cell_volume   255.177
_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
  K  K0  1  0.620  0.380  0.750  1.0
  K  K1  1  0.380  0.620  0.250  1.0
  Lu  Lu2  1  0.095  0.905  0.750  1.0
  Lu  Lu3  1  0.905  0.095  0.250  1.0
  C  C4  1  0.646  0.891  0.756  1.0
  C  C5  1  0.354  0.109  0.244  1.0
  C  C6  1  0.109  0.354  0.744  1.0
  C  C7  1  0.891  0.646  0.256  1.0
  O  O8  1  0.440  0.895  0.779  1.0
  O  O9  1  0.560  0.105  0.221  1.0
  O  O10  1  0.105  0.560  0.721  1.0
  O  O11  1  0.895  0.440  0.279  1.0
  O  O12  1  0.719  0.750  0.884  1.0
  O  O13  1  0.281  0.250  0.116  1.0
  O  O14  1  0.250  0.281  0.616  1.0
  O  O15  1  0.750  0.719  0.384  1.0
  O  O16  1  0.799  0.035  0.604  1.0
  O  O17  1  0.201  0.965  0.396  1.0
  O  O18  1  0.965  0.201  0.896  1.0
  O  O19  1  0.035  0.799  0.104  1.0
[/CIF]
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The crystal structure described by KLu(CO3)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Lu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Lu(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), two equivalent Lu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_KLu(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.862
_cell_angle_alpha   76.274
_cell_angle_beta   76.274
_cell_angle_gamma   96.014
_symmetry_Int_Tables_number   1
_cell_volume   255.177
_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
  K  K0  1  0.620  0.380  0.750  1.0
  K  K1  1  0.380  0.620  0.250  1.0
  Lu  Lu2  1  0.095  0.905  0.750  1.0
  Lu  Lu3  1  0.905  0.095  0.250  1.0
  C  C4  1  0.646  0.891  0.756  1.0
  C  C5  1  0.354  0.109  0.244  1.0
  C  C6  1  0.109  0.354  0.744  1.0
  C  C7  1  0.891  0.646  0.256  1.0
  O  O8  1  0.440  0.895  0.779  1.0
  O  O9  1  0.560  0.105  0.221  1.0
  O  O10  1  0.105  0.560  0.721  1.0
  O  O11  1  0.895  0.440  0.279  1.0
  O  O12  1  0.719  0.750  0.884  1.0
  O  O13  1  0.281  0.250  0.116  1.0
  O  O14  1  0.250  0.281  0.616  1.0
  O  O15  1  0.750  0.719  0.384  1.0
  O  O16  1  0.799  0.035  0.604  1.0
  O  O17  1  0.201  0.965  0.396  1.0
  O  O18  1  0.965  0.201  0.896  1.0
  O  O19  1  0.035  0.799  0.104  1.0
[/CIF]
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