The structure described by MnAl2Sb2(PO4)6 crystallizes in the trigonal R-3 space group. Mn(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Al(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Al(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl2Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   8.544
_cell_length_c   8.544
_cell_angle_alpha   60.122
_cell_angle_beta   60.122
_cell_angle_gamma   60.122
_symmetry_Int_Tables_number   1
_cell_volume   442.297
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.644  0.644  0.644  1.0
  Al  Al2  1  0.356  0.356  0.356  1.0
  Sb  Sb3  1  0.138  0.138  0.138  1.0
  Sb  Sb4  1  0.862  0.862  0.862  1.0
  P  P5  1  0.465  0.043  0.739  1.0
  P  P6  1  0.043  0.739  0.465  1.0
  P  P7  1  0.739  0.465  0.043  1.0
  P  P8  1  0.957  0.261  0.535  1.0
  P  P9  1  0.261  0.535  0.957  1.0
  P  P10  1  0.535  0.957  0.261  1.0
  O  O11  1  0.563  0.761  0.422  1.0
  O  O12  1  0.761  0.422  0.563  1.0
  O  O13  1  0.422  0.563  0.761  1.0
  O  O14  1  0.050  0.915  0.277  1.0
  O  O15  1  0.915  0.277  0.050  1.0
  O  O16  1  0.277  0.050  0.915  1.0
  O  O17  1  0.437  0.239  0.578  1.0
  O  O18  1  0.239  0.578  0.437  1.0
  O  O19  1  0.578  0.437  0.239  1.0
  O  O20  1  0.950  0.085  0.723  1.0
  O  O21  1  0.085  0.723  0.950  1.0
  O  O22  1  0.723  0.950  0.085  1.0
  O  O23  1  0.509  0.875  0.690  1.0
  O  O24  1  0.875  0.690  0.509  1.0
  O  O25  1  0.690  0.509  0.875  1.0
  O  O26  1  0.976  0.213  0.370  1.0
  O  O27  1  0.213  0.370  0.976  1.0
  O  O28  1  0.370  0.976  0.213  1.0
  O  O29  1  0.491  0.125  0.310  1.0
  O  O30  1  0.125  0.310  0.491  1.0
  O  O31  1  0.310  0.491  0.125  1.0
  O  O32  1  0.024  0.787  0.630  1.0
  O  O33  1  0.787  0.630  0.024  1.0
  O  O34  1  0.630  0.024  0.787  1.0
[/CIF]
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The structure described by MnAl2Sb2(PO4)6 crystallizes in the trigonal R-3 space group. Mn(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Al(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Sb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra and corners with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Al(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAl2Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   8.544
_cell_length_c   8.544
_cell_angle_alpha   60.122
_cell_angle_beta   60.122
_cell_angle_gamma   60.122
_symmetry_Int_Tables_number   1
_cell_volume   442.297
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.644  0.644  0.644  1.0
  Al  Al2  1  0.356  0.356  0.356  1.0
  Sb  Sb3  1  0.138  0.138  0.138  1.0
  Sb  Sb4  1  0.862  0.862  0.862  1.0
  P  P5  1  0.465  0.043  0.739  1.0
  P  P6  1  0.043  0.739  0.465  1.0
  P  P7  1  0.739  0.465  0.043  1.0
  P  P8  1  0.957  0.261  0.535  1.0
  P  P9  1  0.261  0.535  0.957  1.0
  P  P10  1  0.535  0.957  0.261  1.0
  O  O11  1  0.563  0.761  0.422  1.0
  O  O12  1  0.761  0.422  0.563  1.0
  O  O13  1  0.422  0.563  0.761  1.0
  O  O14  1  0.050  0.915  0.277  1.0
  O  O15  1  0.915  0.277  0.050  1.0
  O  O16  1  0.277  0.050  0.915  1.0
  O  O17  1  0.437  0.239  0.578  1.0
  O  O18  1  0.239  0.578  0.437  1.0
  O  O19  1  0.578  0.437  0.239  1.0
  O  O20  1  0.950  0.085  0.723  1.0
  O  O21  1  0.085  0.723  0.950  1.0
  O  O22  1  0.723  0.950  0.085  1.0
  O  O23  1  0.509  0.875  0.690  1.0
  O  O24  1  0.875  0.690  0.509  1.0
  O  O25  1  0.690  0.509  0.875  1.0
  O  O26  1  0.976  0.213  0.370  1.0
  O  O27  1  0.213  0.370  0.976  1.0
  O  O28  1  0.370  0.976  0.213  1.0
  O  O29  1  0.491  0.125  0.310  1.0
  O  O30  1  0.125  0.310  0.491  1.0
  O  O31  1  0.310  0.491  0.125  1.0
  O  O32  1  0.024  0.787  0.630  1.0
  O  O33  1  0.787  0.630  0.024  1.0
  O  O34  1  0.630  0.024  0.787  1.0
[/CIF]
.