The material structure described by KMgSb(PO4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second P site, P(2) is bonded to one O(3) and three equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent K(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Sb(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.769
_cell_length_b   8.769
_cell_length_c   8.769
_cell_angle_alpha   34.649
_cell_angle_beta   34.649
_cell_angle_gamma   34.649
_symmetry_Int_Tables_number   1
_cell_volume   194.477
_cell_formula_units_Z   1
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  0.481  0.481  0.481  1.0
  Mg  Mg1  1  0.891  0.891  0.891  1.0
  Sb  Sb2  1  0.015  0.015  0.015  1.0
  P  P3  1  0.751  0.751  0.751  1.0
  P  P4  1  0.247  0.247  0.247  1.0
  O  O5  1  0.813  0.813  0.813  1.0
  O  O6  1  0.997  0.435  0.757  1.0
  O  O7  1  0.185  0.185  0.185  1.0
  O  O8  1  0.757  0.997  0.435  1.0
  O  O9  1  0.196  0.029  0.580  1.0
  O  O10  1  0.435  0.757  0.997  1.0
  O  O11  1  0.580  0.196  0.029  1.0
  O  O12  1  0.029  0.580  0.196  1.0
[/CIF]
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The material structure described by KMgSb(PO4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second P site, P(2) is bonded to one O(3) and three equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent K(1), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Sb(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.769
_cell_length_b   8.769
_cell_length_c   8.769
_cell_angle_alpha   34.649
_cell_angle_beta   34.649
_cell_angle_gamma   34.649
_symmetry_Int_Tables_number   1
_cell_volume   194.477
_cell_formula_units_Z   1
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  0.481  0.481  0.481  1.0
  Mg  Mg1  1  0.891  0.891  0.891  1.0
  Sb  Sb2  1  0.015  0.015  0.015  1.0
  P  P3  1  0.751  0.751  0.751  1.0
  P  P4  1  0.247  0.247  0.247  1.0
  O  O5  1  0.813  0.813  0.813  1.0
  O  O6  1  0.997  0.435  0.757  1.0
  O  O7  1  0.185  0.185  0.185  1.0
  O  O8  1  0.757  0.997  0.435  1.0
  O  O9  1  0.196  0.029  0.580  1.0
  O  O10  1  0.435  0.757  0.997  1.0
  O  O11  1  0.580  0.196  0.029  1.0
  O  O12  1  0.029  0.580  0.196  1.0
[/CIF]
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