The material structure described by K3Yb(SO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(12) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(3), one O(5), one O(6), two equivalent O(11), and two equivalent O(8) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and two equivalent O(9) atoms. Yb(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra, and  an edgeedge with one S(1)O4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Yb(1)O7 pentagonal bipyramid and  an edgeedge with one Yb(1)O7 pentagonal bipyramid. In the second S site, S(2) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O7 pentagonal bipyramids. In the third S site, S(3) is bonded to one O(11), one O(12), one O(2), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O7 pentagonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(3), one Yb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one Yb(1), and one S(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(3), one Yb(1), and one S(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one Yb(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), one Yb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(3), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one K(2), one Yb(1), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(3) atom. is represented by the CIF card [CIF]
data_K3Yb(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.353
_cell_length_b   9.353
_cell_length_c   9.350
_cell_angle_alpha   71.380
_cell_angle_beta   71.380
_cell_angle_gamma   110.901
_symmetry_Int_Tables_number   1
_cell_volume   631.554
_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  0.839  0.816  0.613  1.0
  K  K1  1  0.816  0.839  0.113  1.0
  K  K2  1  0.945  0.452  0.853  1.0
  K  K3  1  0.452  0.945  0.353  1.0
  K  K4  1  0.168  0.304  0.517  1.0
  K  K5  1  0.304  0.168  0.017  1.0
  Yb  Yb6  1  0.658  0.340  0.505  1.0
  Yb  Yb7  1  0.340  0.658  0.005  1.0
  S  S8  1  0.647  0.028  0.863  1.0
  S  S9  1  0.028  0.647  0.363  1.0
  S  S10  1  0.226  0.940  0.739  1.0
  S  S11  1  0.940  0.226  0.239  1.0
  S  S12  1  0.447  0.568  0.638  1.0
  S  S13  1  0.568  0.447  0.138  1.0
  O  O14  1  0.611  0.165  0.776  1.0
  O  O15  1  0.165  0.611  0.276  1.0
  O  O16  1  0.436  0.577  0.799  1.0
  O  O17  1  0.577  0.436  0.299  1.0
  O  O18  1  0.827  0.112  0.837  1.0
  O  O19  1  0.112  0.827  0.337  1.0
  O  O20  1  0.481  0.422  0.644  1.0
  O  O21  1  0.422  0.481  0.144  1.0
  O  O22  1  0.407  0.079  0.589  1.0
  O  O23  1  0.079  0.407  0.089  1.0
  O  O24  1  0.918  0.512  0.551  1.0
  O  O25  1  0.512  0.918  0.051  1.0
  O  O26  1  0.625  0.906  0.789  1.0
  O  O27  1  0.906  0.625  0.289  1.0
  O  O28  1  0.115  0.872  0.667  1.0
  O  O29  1  0.872  0.115  0.167  1.0
  O  O30  1  0.156  0.015  0.841  1.0
  O  O31  1  0.015  0.156  0.341  1.0
  O  O32  1  0.797  0.243  0.347  1.0
  O  O33  1  0.243  0.797  0.847  1.0
  O  O34  1  0.282  0.532  0.634  1.0
  O  O35  1  0.532  0.282  0.134  1.0
  O  O36  1  0.596  0.738  0.485  1.0
  O  O37  1  0.738  0.596  0.985  1.0
[/CIF]
.
The material structure described by K3Yb(SO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(12) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(3), one O(5), one O(6), two equivalent O(11), and two equivalent O(8) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and two equivalent O(9) atoms. Yb(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra, and  an edgeedge with one S(1)O4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Yb(1)O7 pentagonal bipyramid and  an edgeedge with one Yb(1)O7 pentagonal bipyramid. In the second S site, S(2) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O7 pentagonal bipyramids. In the third S site, S(3) is bonded to one O(11), one O(12), one O(2), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Yb(1)O7 pentagonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(3), one Yb(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one Yb(1), and one S(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(3), one Yb(1), and one S(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one Yb(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), one Yb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(3), and one S(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one K(2), one Yb(1), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one S(3) atom. is represented by the CIF card [CIF]
data_K3Yb(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.353
_cell_length_b   9.353
_cell_length_c   9.350
_cell_angle_alpha   71.380
_cell_angle_beta   71.380
_cell_angle_gamma   110.901
_symmetry_Int_Tables_number   1
_cell_volume   631.554
_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  0.839  0.816  0.613  1.0
  K  K1  1  0.816  0.839  0.113  1.0
  K  K2  1  0.945  0.452  0.853  1.0
  K  K3  1  0.452  0.945  0.353  1.0
  K  K4  1  0.168  0.304  0.517  1.0
  K  K5  1  0.304  0.168  0.017  1.0
  Yb  Yb6  1  0.658  0.340  0.505  1.0
  Yb  Yb7  1  0.340  0.658  0.005  1.0
  S  S8  1  0.647  0.028  0.863  1.0
  S  S9  1  0.028  0.647  0.363  1.0
  S  S10  1  0.226  0.940  0.739  1.0
  S  S11  1  0.940  0.226  0.239  1.0
  S  S12  1  0.447  0.568  0.638  1.0
  S  S13  1  0.568  0.447  0.138  1.0
  O  O14  1  0.611  0.165  0.776  1.0
  O  O15  1  0.165  0.611  0.276  1.0
  O  O16  1  0.436  0.577  0.799  1.0
  O  O17  1  0.577  0.436  0.299  1.0
  O  O18  1  0.827  0.112  0.837  1.0
  O  O19  1  0.112  0.827  0.337  1.0
  O  O20  1  0.481  0.422  0.644  1.0
  O  O21  1  0.422  0.481  0.144  1.0
  O  O22  1  0.407  0.079  0.589  1.0
  O  O23  1  0.079  0.407  0.089  1.0
  O  O24  1  0.918  0.512  0.551  1.0
  O  O25  1  0.512  0.918  0.051  1.0
  O  O26  1  0.625  0.906  0.789  1.0
  O  O27  1  0.906  0.625  0.289  1.0
  O  O28  1  0.115  0.872  0.667  1.0
  O  O29  1  0.872  0.115  0.167  1.0
  O  O30  1  0.156  0.015  0.841  1.0
  O  O31  1  0.015  0.156  0.341  1.0
  O  O32  1  0.797  0.243  0.347  1.0
  O  O33  1  0.243  0.797  0.847  1.0
  O  O34  1  0.282  0.532  0.634  1.0
  O  O35  1  0.532  0.282  0.134  1.0
  O  O36  1  0.596  0.738  0.485  1.0
  O  O37  1  0.738  0.596  0.985  1.0
[/CIF]
.