The material structure described by Cd2Mn3O8 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(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cd(1)O6 pentagonal pyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Cd(1)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. Cd(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CdO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one Cd(1) atom. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(2), and one Cd(1) atom to form distorted OMn3Cd trigonal pyramids that share  a cornercorner with one O(2)Mn3Cd trigonal pyramid, corners with four equivalent O(3)Mn2Cd2 trigonal pyramids,  an edgeedge with one O(2)Mn3Cd trigonal pyramid, and edges with four equivalent O(3)Mn2Cd2 trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Cd(1) atoms to form distorted OMn2Cd2 trigonal pyramids that share corners with two equivalent O(2)Mn3Cd trigonal pyramids, corners with six equivalent O(3)Mn2Cd2 trigonal pyramids, edges with two equivalent O(3)Mn2Cd2 trigonal pyramids, and edges with two equivalent O(2)Mn3Cd trigonal pyramids. is represented by the CIF card [CIF]
data_Mn3Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   5.807
_cell_length_c   6.140
_cell_angle_alpha   118.228
_cell_angle_beta   106.720
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   146.561
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.741  1.000  1.0
  Mn  Mn2  1  1.000  0.259  0.000  1.0
  Cd  Cd3  1  0.662  0.722  0.443  1.0
  Cd  Cd4  1  0.338  0.278  0.557  1.0
  O  O5  1  0.048  0.397  0.794  1.0
  O  O6  1  0.952  0.603  0.206  1.0
  O  O7  1  0.099  0.903  0.806  1.0
  O  O8  1  0.901  0.097  0.194  1.0
  O  O9  1  0.389  0.325  0.204  1.0
  O  O10  1  0.389  0.880  0.204  1.0
  O  O11  1  0.611  0.120  0.796  1.0
  O  O12  1  0.611  0.675  0.796  1.0
[/CIF]
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The material structure described by Cd2Mn3O8 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(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Cd(1)O6 pentagonal pyramids, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Cd(1)O6 pentagonal pyramids, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. Cd(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CdO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cd(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 19-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one Cd(1) atom. In the second O site, O(2) is bonded to one Mn(1), two equivalent Mn(2), and one Cd(1) atom to form distorted OMn3Cd trigonal pyramids that share  a cornercorner with one O(2)Mn3Cd trigonal pyramid, corners with four equivalent O(3)Mn2Cd2 trigonal pyramids,  an edgeedge with one O(2)Mn3Cd trigonal pyramid, and edges with four equivalent O(3)Mn2Cd2 trigonal pyramids. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Cd(1) atoms to form distorted OMn2Cd2 trigonal pyramids that share corners with two equivalent O(2)Mn3Cd trigonal pyramids, corners with six equivalent O(3)Mn2Cd2 trigonal pyramids, edges with two equivalent O(3)Mn2Cd2 trigonal pyramids, and edges with two equivalent O(2)Mn3Cd trigonal pyramids. is represented by the CIF card [CIF]
data_Mn3Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   5.807
_cell_length_c   6.140
_cell_angle_alpha   118.228
_cell_angle_beta   106.720
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   146.561
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.741  1.000  1.0
  Mn  Mn2  1  1.000  0.259  0.000  1.0
  Cd  Cd3  1  0.662  0.722  0.443  1.0
  Cd  Cd4  1  0.338  0.278  0.557  1.0
  O  O5  1  0.048  0.397  0.794  1.0
  O  O6  1  0.952  0.603  0.206  1.0
  O  O7  1  0.099  0.903  0.806  1.0
  O  O8  1  0.901  0.097  0.194  1.0
  O  O9  1  0.389  0.325  0.204  1.0
  O  O10  1  0.389  0.880  0.204  1.0
  O  O11  1  0.611  0.120  0.796  1.0
  O  O12  1  0.611  0.675  0.796  1.0
[/CIF]
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