The material described by KB(SO4)2 crystallizes in the tetragonal P4/ncc space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. B(1) is bonded to four equivalent O(2) atoms to form BO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. is represented by the CIF card [CIF]
data_KB(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   7.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.048
_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
  K  K0  1  0.500  0.000  0.436  1.0
  K  K1  1  0.500  0.000  0.936  1.0
  K  K2  1  0.000  0.500  0.564  1.0
  K  K3  1  0.000  0.500  0.064  1.0
  B  B4  1  0.000  0.000  0.500  1.0
  B  B5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.500  0.500  0.000  1.0
  B  B7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.846  0.154  0.250  1.0
  S  S9  1  0.846  0.846  0.750  1.0
  S  S10  1  0.154  0.154  0.750  1.0
  S  S11  1  0.154  0.846  0.250  1.0
  S  S12  1  0.654  0.346  0.750  1.0
  S  S13  1  0.654  0.654  0.250  1.0
  S  S14  1  0.346  0.346  0.250  1.0
  S  S15  1  0.346  0.654  0.750  1.0
  O  O16  1  0.296  0.874  0.178  1.0
  O  O17  1  0.296  0.126  0.678  1.0
  O  O18  1  0.704  0.874  0.678  1.0
  O  O19  1  0.704  0.126  0.178  1.0
  O  O20  1  0.374  0.796  0.678  1.0
  O  O21  1  0.374  0.204  0.178  1.0
  O  O22  1  0.626  0.796  0.178  1.0
  O  O23  1  0.626  0.204  0.678  1.0
  O  O24  1  0.204  0.626  0.822  1.0
  O  O25  1  0.204  0.374  0.322  1.0
  O  O26  1  0.796  0.626  0.322  1.0
  O  O27  1  0.796  0.374  0.822  1.0
  O  O28  1  0.126  0.704  0.322  1.0
  O  O29  1  0.126  0.296  0.822  1.0
  O  O30  1  0.874  0.704  0.822  1.0
  O  O31  1  0.874  0.296  0.322  1.0
  O  O32  1  0.467  0.371  0.392  1.0
  O  O33  1  0.467  0.629  0.892  1.0
  O  O34  1  0.533  0.371  0.892  1.0
  O  O35  1  0.533  0.629  0.392  1.0
  O  O36  1  0.871  0.967  0.892  1.0
  O  O37  1  0.871  0.033  0.392  1.0
  O  O38  1  0.129  0.967  0.392  1.0
  O  O39  1  0.129  0.033  0.892  1.0
  O  O40  1  0.033  0.129  0.608  1.0
  O  O41  1  0.033  0.871  0.108  1.0
  O  O42  1  0.967  0.129  0.108  1.0
  O  O43  1  0.967  0.871  0.608  1.0
  O  O44  1  0.629  0.533  0.108  1.0
  O  O45  1  0.629  0.467  0.608  1.0
  O  O46  1  0.371  0.533  0.608  1.0
  O  O47  1  0.371  0.467  0.108  1.0
[/CIF]
.
The material described by KB(SO4)2 crystallizes in the tetragonal P4/ncc space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. B(1) is bonded to four equivalent O(2) atoms to form BO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. is represented by the CIF card [CIF]
data_KB(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   7.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.048
_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
  K  K0  1  0.500  0.000  0.436  1.0
  K  K1  1  0.500  0.000  0.936  1.0
  K  K2  1  0.000  0.500  0.564  1.0
  K  K3  1  0.000  0.500  0.064  1.0
  B  B4  1  0.000  0.000  0.500  1.0
  B  B5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.500  0.500  0.000  1.0
  B  B7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.846  0.154  0.250  1.0
  S  S9  1  0.846  0.846  0.750  1.0
  S  S10  1  0.154  0.154  0.750  1.0
  S  S11  1  0.154  0.846  0.250  1.0
  S  S12  1  0.654  0.346  0.750  1.0
  S  S13  1  0.654  0.654  0.250  1.0
  S  S14  1  0.346  0.346  0.250  1.0
  S  S15  1  0.346  0.654  0.750  1.0
  O  O16  1  0.296  0.874  0.178  1.0
  O  O17  1  0.296  0.126  0.678  1.0
  O  O18  1  0.704  0.874  0.678  1.0
  O  O19  1  0.704  0.126  0.178  1.0
  O  O20  1  0.374  0.796  0.678  1.0
  O  O21  1  0.374  0.204  0.178  1.0
  O  O22  1  0.626  0.796  0.178  1.0
  O  O23  1  0.626  0.204  0.678  1.0
  O  O24  1  0.204  0.626  0.822  1.0
  O  O25  1  0.204  0.374  0.322  1.0
  O  O26  1  0.796  0.626  0.322  1.0
  O  O27  1  0.796  0.374  0.822  1.0
  O  O28  1  0.126  0.704  0.322  1.0
  O  O29  1  0.126  0.296  0.822  1.0
  O  O30  1  0.874  0.704  0.822  1.0
  O  O31  1  0.874  0.296  0.322  1.0
  O  O32  1  0.467  0.371  0.392  1.0
  O  O33  1  0.467  0.629  0.892  1.0
  O  O34  1  0.533  0.371  0.892  1.0
  O  O35  1  0.533  0.629  0.392  1.0
  O  O36  1  0.871  0.967  0.892  1.0
  O  O37  1  0.871  0.033  0.392  1.0
  O  O38  1  0.129  0.967  0.392  1.0
  O  O39  1  0.129  0.033  0.892  1.0
  O  O40  1  0.033  0.129  0.608  1.0
  O  O41  1  0.033  0.871  0.108  1.0
  O  O42  1  0.967  0.129  0.108  1.0
  O  O43  1  0.967  0.871  0.608  1.0
  O  O44  1  0.629  0.533  0.108  1.0
  O  O45  1  0.629  0.467  0.608  1.0
  O  O46  1  0.371  0.533  0.608  1.0
  O  O47  1  0.371  0.467  0.108  1.0
[/CIF]
.