The material structure described by K3Lu(BO3)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Lu(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), one Lu(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Lu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Lu(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   6.784
_cell_length_c   9.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.020
_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  0.000  0.267  0.668  1.0
  K  K1  1  0.000  0.733  0.332  1.0
  K  K2  1  0.500  0.233  0.168  1.0
  K  K3  1  0.500  0.767  0.832  1.0
  K  K4  1  0.500  0.000  0.500  1.0
  K  K5  1  0.000  0.500  0.000  1.0
  Lu  Lu6  1  0.000  0.000  0.000  1.0
  Lu  Lu7  1  0.500  0.500  0.500  1.0
  B  B8  1  0.000  0.264  0.334  1.0
  B  B9  1  0.000  0.736  0.666  1.0
  B  B10  1  0.500  0.236  0.834  1.0
  B  B11  1  0.500  0.764  0.166  1.0
  O  O12  1  0.219  0.303  0.404  1.0
  O  O13  1  0.781  0.697  0.596  1.0
  O  O14  1  0.219  0.697  0.596  1.0
  O  O15  1  0.281  0.197  0.904  1.0
  O  O16  1  0.781  0.303  0.404  1.0
  O  O17  1  0.719  0.803  0.096  1.0
  O  O18  1  0.281  0.803  0.096  1.0
  O  O19  1  0.719  0.197  0.904  1.0
  O  O20  1  0.000  0.190  0.194  1.0
  O  O21  1  0.000  0.810  0.806  1.0
  O  O22  1  0.500  0.310  0.694  1.0
  O  O23  1  0.500  0.690  0.306  1.0
[/CIF]
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The material structure described by K3Lu(BO3)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Lu(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), one Lu(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Lu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Lu(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   6.784
_cell_length_c   9.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.020
_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  0.000  0.267  0.668  1.0
  K  K1  1  0.000  0.733  0.332  1.0
  K  K2  1  0.500  0.233  0.168  1.0
  K  K3  1  0.500  0.767  0.832  1.0
  K  K4  1  0.500  0.000  0.500  1.0
  K  K5  1  0.000  0.500  0.000  1.0
  Lu  Lu6  1  0.000  0.000  0.000  1.0
  Lu  Lu7  1  0.500  0.500  0.500  1.0
  B  B8  1  0.000  0.264  0.334  1.0
  B  B9  1  0.000  0.736  0.666  1.0
  B  B10  1  0.500  0.236  0.834  1.0
  B  B11  1  0.500  0.764  0.166  1.0
  O  O12  1  0.219  0.303  0.404  1.0
  O  O13  1  0.781  0.697  0.596  1.0
  O  O14  1  0.219  0.697  0.596  1.0
  O  O15  1  0.281  0.197  0.904  1.0
  O  O16  1  0.781  0.303  0.404  1.0
  O  O17  1  0.719  0.803  0.096  1.0
  O  O18  1  0.281  0.803  0.096  1.0
  O  O19  1  0.719  0.197  0.904  1.0
  O  O20  1  0.000  0.190  0.194  1.0
  O  O21  1  0.000  0.810  0.806  1.0
  O  O22  1  0.500  0.310  0.694  1.0
  O  O23  1  0.500  0.690  0.306  1.0
[/CIF]
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