The compound described by CsMgSb(PO4)2 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. Sb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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(2), one O(3), one O(4), and one O(8) atom 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(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(2) atom. In the second O site, O(2) is bonded in a 2-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 2-coordinate geometry to one Mg(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.376
_cell_length_c   9.352
_cell_angle_alpha   89.982
_cell_angle_beta   89.997
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   234.187
_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
  Cs  Cs0  1  1.000  0.001  0.989  1.0
  Mg  Mg1  1  0.666  0.334  0.592  1.0
  Sb  Sb2  1  1.000  0.000  0.477  1.0
  P  P3  1  0.333  0.667  0.706  1.0
  P  P4  1  0.666  0.333  0.290  1.0
  O  O5  1  0.666  0.335  0.130  1.0
  O  O6  1  0.589  0.953  0.642  1.0
  O  O7  1  0.362  0.411  0.642  1.0
  O  O8  1  0.333  0.668  0.867  1.0
  O  O9  1  0.725  0.624  0.363  1.0
  O  O10  1  0.375  0.101  0.362  1.0
  O  O11  1  0.899  0.274  0.361  1.0
  O  O12  1  0.048  0.637  0.642  1.0
[/CIF]
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The compound described by CsMgSb(PO4)2 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. Sb(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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(2), one O(3), one O(4), and one O(8) atom 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(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(2) atom. In the second O site, O(2) is bonded in a 2-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 2-coordinate geometry to one Mg(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_CsMgSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.376
_cell_length_c   9.352
_cell_angle_alpha   89.982
_cell_angle_beta   89.997
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   234.187
_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
  Cs  Cs0  1  1.000  0.001  0.989  1.0
  Mg  Mg1  1  0.666  0.334  0.592  1.0
  Sb  Sb2  1  1.000  0.000  0.477  1.0
  P  P3  1  0.333  0.667  0.706  1.0
  P  P4  1  0.666  0.333  0.290  1.0
  O  O5  1  0.666  0.335  0.130  1.0
  O  O6  1  0.589  0.953  0.642  1.0
  O  O7  1  0.362  0.411  0.642  1.0
  O  O8  1  0.333  0.668  0.867  1.0
  O  O9  1  0.725  0.624  0.363  1.0
  O  O10  1  0.375  0.101  0.362  1.0
  O  O11  1  0.899  0.274  0.361  1.0
  O  O12  1  0.048  0.637  0.642  1.0
[/CIF]
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