The material described by MnSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. Sn(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Sn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.110
_cell_length_c   10.251
_cell_angle_alpha   89.999
_cell_angle_beta   89.292
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   315.774
_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
  Mn  Mn0  1  0.550  0.250  0.776  1.0
  Mn  Mn1  1  0.449  0.750  0.224  1.0
  O  O2  1  0.358  0.250  0.957  1.0
  O  O3  1  0.642  0.750  0.043  1.0
  O  O4  1  0.308  0.750  0.866  1.0
  O  O5  1  0.692  0.250  0.134  1.0
  O  O6  1  0.789  0.250  0.607  1.0
  O  O7  1  0.211  0.750  0.393  1.0
  O  O8  1  0.823  0.750  0.553  1.0
  O  O9  1  0.177  0.250  0.447  1.0
  O  O10  1  0.758  0.945  0.826  1.0
  O  O11  1  0.758  0.555  0.826  1.0
  O  O12  1  0.242  0.445  0.174  1.0
  O  O13  1  0.242  0.055  0.174  1.0
  O  O14  1  0.225  0.050  0.663  1.0
  O  O15  1  0.225  0.450  0.663  1.0
  O  O16  1  0.775  0.950  0.337  1.0
  O  O17  1  0.775  0.550  0.337  1.0
  P  P18  1  0.608  0.750  0.898  1.0
  P  P19  1  0.392  0.250  0.102  1.0
  P  P20  1  0.086  0.250  0.593  1.0
  P  P21  1  0.914  0.750  0.407  1.0
  Sn  Sn22  1  0.044  0.750  0.718  1.0
  Sn  Sn23  1  0.956  0.250  0.282  1.0
[/CIF]
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The material described by MnSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. Sn(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Sn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Sn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.110
_cell_length_c   10.251
_cell_angle_alpha   89.999
_cell_angle_beta   89.292
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   315.774
_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
  Mn  Mn0  1  0.550  0.250  0.776  1.0
  Mn  Mn1  1  0.449  0.750  0.224  1.0
  O  O2  1  0.358  0.250  0.957  1.0
  O  O3  1  0.642  0.750  0.043  1.0
  O  O4  1  0.308  0.750  0.866  1.0
  O  O5  1  0.692  0.250  0.134  1.0
  O  O6  1  0.789  0.250  0.607  1.0
  O  O7  1  0.211  0.750  0.393  1.0
  O  O8  1  0.823  0.750  0.553  1.0
  O  O9  1  0.177  0.250  0.447  1.0
  O  O10  1  0.758  0.945  0.826  1.0
  O  O11  1  0.758  0.555  0.826  1.0
  O  O12  1  0.242  0.445  0.174  1.0
  O  O13  1  0.242  0.055  0.174  1.0
  O  O14  1  0.225  0.050  0.663  1.0
  O  O15  1  0.225  0.450  0.663  1.0
  O  O16  1  0.775  0.950  0.337  1.0
  O  O17  1  0.775  0.550  0.337  1.0
  P  P18  1  0.608  0.750  0.898  1.0
  P  P19  1  0.392  0.250  0.102  1.0
  P  P20  1  0.086  0.250  0.593  1.0
  P  P21  1  0.914  0.750  0.407  1.0
  Sn  Sn22  1  0.044  0.750  0.718  1.0
  Sn  Sn23  1  0.956  0.250  0.282  1.0
[/CIF]
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