The compound described by KMgSb(PO4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(1) and three equivalent O(3) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) and three equivalent O(4) atoms. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form 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 53°. 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 35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(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 T-shaped geometry to one Mg(1), one Sb(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.354
_cell_length_b   9.354
_cell_length_c   9.355
_cell_angle_alpha   32.979
_cell_angle_beta   32.979
_cell_angle_gamma   32.982
_symmetry_Int_Tables_number   1
_cell_volume   215.856
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.361  0.360  0.360  1.0
  Sb  Sb2  1  0.993  0.992  0.993  1.0
  P  P3  1  0.740  0.739  0.739  1.0
  P  P4  1  0.259  0.258  0.258  1.0
  O  O5  1  0.797  0.796  0.796  1.0
  O  O6  1  0.007  0.458  0.685  1.0
  O  O7  1  0.203  0.202  0.202  1.0
  O  O8  1  0.686  0.006  0.458  1.0
  O  O9  1  0.243  0.039  0.572  1.0
  O  O10  1  0.459  0.685  0.006  1.0
  O  O11  1  0.572  0.243  0.039  1.0
  O  O12  1  0.039  0.572  0.243  1.0
[/CIF]
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The compound described by KMgSb(PO4)2 crystallizes in the trigonal R3 space group. K(1) is bonded in a distorted hexagonal planar geometry to three equivalent O(1) and three equivalent O(3) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) and three equivalent O(4) atoms. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form 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 53°. 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 35°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(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 T-shaped geometry to one Mg(1), one Sb(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.354
_cell_length_b   9.354
_cell_length_c   9.355
_cell_angle_alpha   32.979
_cell_angle_beta   32.979
_cell_angle_gamma   32.982
_symmetry_Int_Tables_number   1
_cell_volume   215.856
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.361  0.360  0.360  1.0
  Sb  Sb2  1  0.993  0.992  0.993  1.0
  P  P3  1  0.740  0.739  0.739  1.0
  P  P4  1  0.259  0.258  0.258  1.0
  O  O5  1  0.797  0.796  0.796  1.0
  O  O6  1  0.007  0.458  0.685  1.0
  O  O7  1  0.203  0.202  0.202  1.0
  O  O8  1  0.686  0.006  0.458  1.0
  O  O9  1  0.243  0.039  0.572  1.0
  O  O10  1  0.459  0.685  0.006  1.0
  O  O11  1  0.572  0.243  0.039  1.0
  O  O12  1  0.039  0.572  0.243  1.0
[/CIF]
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