The material described by KSn4(PO4)3 crystallizes in the trigonal R3c space group. K(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to three equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.225
_cell_length_b   10.225
_cell_length_c   10.225
_cell_angle_alpha   58.989
_cell_angle_beta   58.989
_cell_angle_gamma   58.989
_symmetry_Int_Tables_number   1
_cell_volume   738.481
_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  0.657  0.657  0.657  1.0
  K  K1  1  0.157  0.157  0.157  1.0
  Sn  Sn2  1  0.766  0.859  0.206  1.0
  Sn  Sn3  1  0.859  0.206  0.766  1.0
  Sn  Sn4  1  0.206  0.766  0.859  1.0
  Sn  Sn5  1  0.266  0.706  0.359  1.0
  Sn  Sn6  1  0.706  0.359  0.266  1.0
  Sn  Sn7  1  0.359  0.266  0.706  1.0
  Sn  Sn8  1  0.305  0.305  0.305  1.0
  Sn  Sn9  1  0.805  0.805  0.805  1.0
  P  P10  1  0.369  0.911  0.438  1.0
  P  P11  1  0.911  0.438  0.369  1.0
  P  P12  1  0.438  0.369  0.911  1.0
  P  P13  1  0.411  0.869  0.938  1.0
  P  P14  1  0.869  0.938  0.411  1.0
  P  P15  1  0.938  0.411  0.869  1.0
  O  O16  1  0.109  0.288  0.813  1.0
  O  O17  1  0.429  0.248  0.087  1.0
  O  O18  1  0.876  0.811  0.364  1.0
  O  O19  1  0.811  0.364  0.876  1.0
  O  O20  1  0.364  0.876  0.811  1.0
  O  O21  1  0.376  0.864  0.311  1.0
  O  O22  1  0.864  0.311  0.376  1.0
  O  O23  1  0.311  0.376  0.864  1.0
  O  O24  1  0.248  0.087  0.429  1.0
  O  O25  1  0.587  0.748  0.929  1.0
  O  O26  1  0.748  0.929  0.587  1.0
  O  O27  1  0.929  0.587  0.748  1.0
  O  O28  1  0.788  0.609  0.313  1.0
  O  O29  1  0.609  0.313  0.788  1.0
  O  O30  1  0.404  0.041  0.899  1.0
  O  O31  1  0.313  0.788  0.609  1.0
  O  O32  1  0.041  0.899  0.404  1.0
  O  O33  1  0.399  0.541  0.904  1.0
  O  O34  1  0.904  0.399  0.541  1.0
  O  O35  1  0.541  0.904  0.399  1.0
  O  O36  1  0.899  0.404  0.041  1.0
  O  O37  1  0.813  0.109  0.288  1.0
  O  O38  1  0.288  0.813  0.109  1.0
  O  O39  1  0.087  0.429  0.248  1.0
[/CIF]
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The material described by KSn4(PO4)3 crystallizes in the trigonal R3c space group. K(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(1), one O(3), and one O(4) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to three equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.225
_cell_length_b   10.225
_cell_length_c   10.225
_cell_angle_alpha   58.989
_cell_angle_beta   58.989
_cell_angle_gamma   58.989
_symmetry_Int_Tables_number   1
_cell_volume   738.481
_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  0.657  0.657  0.657  1.0
  K  K1  1  0.157  0.157  0.157  1.0
  Sn  Sn2  1  0.766  0.859  0.206  1.0
  Sn  Sn3  1  0.859  0.206  0.766  1.0
  Sn  Sn4  1  0.206  0.766  0.859  1.0
  Sn  Sn5  1  0.266  0.706  0.359  1.0
  Sn  Sn6  1  0.706  0.359  0.266  1.0
  Sn  Sn7  1  0.359  0.266  0.706  1.0
  Sn  Sn8  1  0.305  0.305  0.305  1.0
  Sn  Sn9  1  0.805  0.805  0.805  1.0
  P  P10  1  0.369  0.911  0.438  1.0
  P  P11  1  0.911  0.438  0.369  1.0
  P  P12  1  0.438  0.369  0.911  1.0
  P  P13  1  0.411  0.869  0.938  1.0
  P  P14  1  0.869  0.938  0.411  1.0
  P  P15  1  0.938  0.411  0.869  1.0
  O  O16  1  0.109  0.288  0.813  1.0
  O  O17  1  0.429  0.248  0.087  1.0
  O  O18  1  0.876  0.811  0.364  1.0
  O  O19  1  0.811  0.364  0.876  1.0
  O  O20  1  0.364  0.876  0.811  1.0
  O  O21  1  0.376  0.864  0.311  1.0
  O  O22  1  0.864  0.311  0.376  1.0
  O  O23  1  0.311  0.376  0.864  1.0
  O  O24  1  0.248  0.087  0.429  1.0
  O  O25  1  0.587  0.748  0.929  1.0
  O  O26  1  0.748  0.929  0.587  1.0
  O  O27  1  0.929  0.587  0.748  1.0
  O  O28  1  0.788  0.609  0.313  1.0
  O  O29  1  0.609  0.313  0.788  1.0
  O  O30  1  0.404  0.041  0.899  1.0
  O  O31  1  0.313  0.788  0.609  1.0
  O  O32  1  0.041  0.899  0.404  1.0
  O  O33  1  0.399  0.541  0.904  1.0
  O  O34  1  0.904  0.399  0.541  1.0
  O  O35  1  0.541  0.904  0.399  1.0
  O  O36  1  0.899  0.404  0.041  1.0
  O  O37  1  0.813  0.109  0.288  1.0
  O  O38  1  0.288  0.813  0.109  1.0
  O  O39  1  0.087  0.429  0.248  1.0
[/CIF]
.