The structure described by Mn3Zn2(AsO6)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Zn(1) is bonded to one O(6) and three equivalent O(4) atoms to form ZnO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 51°. As(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one As(1) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent As(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn2(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   7.522
_cell_length_c   12.653
_cell_angle_alpha   102.089
_cell_angle_beta   96.821
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.659
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.582  0.327  0.165  1.0
  Mn  Mn2  1  0.418  0.673  0.835  1.0
  Zn  Zn3  1  0.209  0.378  0.419  1.0
  Zn  Zn4  1  0.791  0.622  0.581  1.0
  As  As5  1  0.394  0.161  0.789  1.0
  As  As6  1  0.606  0.839  0.211  1.0
  O  O7  1  0.418  0.382  0.837  1.0
  O  O8  1  0.582  0.618  0.163  1.0
  O  O9  1  0.854  0.082  0.709  1.0
  O  O10  1  0.146  0.918  0.291  1.0
  O  O11  1  0.030  0.256  0.060  1.0
  O  O12  1  0.970  0.744  0.940  1.0
  O  O13  1  0.246  0.653  0.492  1.0
  O  O14  1  0.754  0.347  0.508  1.0
  O  O15  1  0.558  0.979  0.117  1.0
  O  O16  1  0.442  0.021  0.883  1.0
  O  O17  1  0.132  0.340  0.264  1.0
  O  O18  1  0.868  0.660  0.736  1.0
[/CIF]
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The structure described by Mn3Zn2(AsO6)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Zn(1) is bonded to one O(6) and three equivalent O(4) atoms to form ZnO4 trigonal pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and edges with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 51°. As(1) is bonded to one O(1), one O(5), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one As(1) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent As(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Zn(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Mn(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn2(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.006
_cell_length_b   7.522
_cell_length_c   12.653
_cell_angle_alpha   102.089
_cell_angle_beta   96.821
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.659
_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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.582  0.327  0.165  1.0
  Mn  Mn2  1  0.418  0.673  0.835  1.0
  Zn  Zn3  1  0.209  0.378  0.419  1.0
  Zn  Zn4  1  0.791  0.622  0.581  1.0
  As  As5  1  0.394  0.161  0.789  1.0
  As  As6  1  0.606  0.839  0.211  1.0
  O  O7  1  0.418  0.382  0.837  1.0
  O  O8  1  0.582  0.618  0.163  1.0
  O  O9  1  0.854  0.082  0.709  1.0
  O  O10  1  0.146  0.918  0.291  1.0
  O  O11  1  0.030  0.256  0.060  1.0
  O  O12  1  0.970  0.744  0.940  1.0
  O  O13  1  0.246  0.653  0.492  1.0
  O  O14  1  0.754  0.347  0.508  1.0
  O  O15  1  0.558  0.979  0.117  1.0
  O  O16  1  0.442  0.021  0.883  1.0
  O  O17  1  0.132  0.340  0.264  1.0
  O  O18  1  0.868  0.660  0.736  1.0
[/CIF]
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