The material described by MnCd4O5 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Cd(1)O6 octahedra, edges with three equivalent Cd(2)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Cd(3)O6 octahedra,  an edgeedge with one Cd(3)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, edges with two equivalent Cd(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Cd site, Cd(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Cd(4)O6 octahedra,  an edgeedge with one Cd(4)O6 octahedra, edges with two equivalent Cd(2)O6 octahedra, edges with two equivalent Cd(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Cd site, Cd(3) is bonded to one O(5), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Cd site, Cd(4) is bonded to one O(4), two equivalent O(5), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cd(3) and three equivalent Cd(4) atoms to form a mixture of corner and edge-sharing OCd6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mn(1), one Cd(1), and two equivalent Cd(2) atoms to form OMn3Cd3 octahedra that share corners with three equivalent O(5)Cd6 octahedra, corners with three equivalent O(3)Mn3Cd3 octahedra,  an edgeedge with one O(5)Cd6 octahedra, edges with two equivalent O(4)Cd6 octahedra, edges with four equivalent O(2)Mn3Cd3 octahedra, and edges with five equivalent O(3)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to three equivalent Mn(1), one Cd(2), and two equivalent Cd(1) atoms to form OMn3Cd3 octahedra that share corners with three equivalent O(4)Cd6 octahedra, corners with three equivalent O(2)Mn3Cd3 octahedra,  an edgeedge with one O(4)Cd6 octahedra, edges with two equivalent O(5)Cd6 octahedra, edges with four equivalent O(3)Mn3Cd3 octahedra, and edges with five equivalent O(2)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Cd(2), one Cd(4), two equivalent Cd(1), and two equivalent Cd(3) atoms to form OCd6 octahedra that share corners with three equivalent O(1)Cd6 octahedra, corners with three equivalent O(3)Mn3Cd3 octahedra,  an edgeedge with one O(3)Mn3Cd3 octahedra, edges with two equivalent O(4)Cd6 octahedra, edges with two equivalent O(2)Mn3Cd3 octahedra, edges with three equivalent O(1)Cd6 octahedra, and edges with four equivalent O(5)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Cd(1), one Cd(3), two equivalent Cd(2), and two equivalent Cd(4) atoms to form OCd6 octahedra that share corners with three equivalent O(1)Cd6 octahedra, corners with three equivalent O(2)Mn3Cd3 octahedra,  an edgeedge with one O(2)Mn3Cd3 octahedra, edges with two equivalent O(5)Cd6 octahedra, edges with two equivalent O(3)Mn3Cd3 octahedra, edges with three equivalent O(1)Cd6 octahedra, and edges with four equivalent O(4)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_MnCd4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.281
_cell_length_b   3.298
_cell_length_c   13.644
_cell_angle_alpha   83.365
_cell_angle_beta   83.094
_cell_angle_gamma   60.175
_symmetry_Int_Tables_number   1
_cell_volume   126.891
_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
  Cd  Cd0  1  0.393  0.407  0.807  1.0
  Cd  Cd1  1  0.607  0.593  0.193  1.0
  Cd  Cd2  1  0.798  0.801  0.602  1.0
  Cd  Cd3  1  0.202  0.199  0.398  1.0
  Mn  Mn4  1  1.000  0.000  1.000  1.0
  O  O5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.313  0.287  0.086  1.0
  O  O7  1  0.687  0.713  0.914  1.0
  O  O8  1  0.904  0.898  0.294  1.0
  O  O9  1  0.096  0.102  0.706  1.0
[/CIF]
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The material described by MnCd4O5 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Cd(1)O6 octahedra, edges with three equivalent Cd(2)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Cd(3)O6 octahedra,  an edgeedge with one Cd(3)O6 octahedra, edges with two equivalent Cd(1)O6 octahedra, edges with two equivalent Cd(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Cd site, Cd(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Cd(4)O6 octahedra,  an edgeedge with one Cd(4)O6 octahedra, edges with two equivalent Cd(2)O6 octahedra, edges with two equivalent Cd(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Cd site, Cd(3) is bonded to one O(5), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Cd site, Cd(4) is bonded to one O(4), two equivalent O(5), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cd(3) and three equivalent Cd(4) atoms to form a mixture of corner and edge-sharing OCd6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mn(1), one Cd(1), and two equivalent Cd(2) atoms to form OMn3Cd3 octahedra that share corners with three equivalent O(5)Cd6 octahedra, corners with three equivalent O(3)Mn3Cd3 octahedra,  an edgeedge with one O(5)Cd6 octahedra, edges with two equivalent O(4)Cd6 octahedra, edges with four equivalent O(2)Mn3Cd3 octahedra, and edges with five equivalent O(3)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to three equivalent Mn(1), one Cd(2), and two equivalent Cd(1) atoms to form OMn3Cd3 octahedra that share corners with three equivalent O(4)Cd6 octahedra, corners with three equivalent O(2)Mn3Cd3 octahedra,  an edgeedge with one O(4)Cd6 octahedra, edges with two equivalent O(5)Cd6 octahedra, edges with four equivalent O(3)Mn3Cd3 octahedra, and edges with five equivalent O(2)Mn3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to one Cd(2), one Cd(4), two equivalent Cd(1), and two equivalent Cd(3) atoms to form OCd6 octahedra that share corners with three equivalent O(1)Cd6 octahedra, corners with three equivalent O(3)Mn3Cd3 octahedra,  an edgeedge with one O(3)Mn3Cd3 octahedra, edges with two equivalent O(4)Cd6 octahedra, edges with two equivalent O(2)Mn3Cd3 octahedra, edges with three equivalent O(1)Cd6 octahedra, and edges with four equivalent O(5)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Cd(1), one Cd(3), two equivalent Cd(2), and two equivalent Cd(4) atoms to form OCd6 octahedra that share corners with three equivalent O(1)Cd6 octahedra, corners with three equivalent O(2)Mn3Cd3 octahedra,  an edgeedge with one O(2)Mn3Cd3 octahedra, edges with two equivalent O(5)Cd6 octahedra, edges with two equivalent O(3)Mn3Cd3 octahedra, edges with three equivalent O(1)Cd6 octahedra, and edges with four equivalent O(4)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_MnCd4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.281
_cell_length_b   3.298
_cell_length_c   13.644
_cell_angle_alpha   83.365
_cell_angle_beta   83.094
_cell_angle_gamma   60.175
_symmetry_Int_Tables_number   1
_cell_volume   126.891
_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
  Cd  Cd0  1  0.393  0.407  0.807  1.0
  Cd  Cd1  1  0.607  0.593  0.193  1.0
  Cd  Cd2  1  0.798  0.801  0.602  1.0
  Cd  Cd3  1  0.202  0.199  0.398  1.0
  Mn  Mn4  1  1.000  0.000  1.000  1.0
  O  O5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.313  0.287  0.086  1.0
  O  O7  1  0.687  0.713  0.914  1.0
  O  O8  1  0.904  0.898  0.294  1.0
  O  O9  1  0.096  0.102  0.706  1.0
[/CIF]
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