The structure described by CaDyMn4O12 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Dy(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Dy(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaDyMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.302
_cell_length_c   7.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.330
_symmetry_Int_Tables_number   1
_cell_volume   210.680
_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
  Ca  Ca0  1  0.514  0.486  0.500  1.0
  Dy  Dy1  1  0.975  0.025  0.000  1.0
  Mn  Mn2  1  0.494  1.000  0.252  1.0
  Mn  Mn3  1  0.494  1.000  0.748  1.0
  Mn  Mn4  1  0.000  0.506  0.748  1.0
  Mn  Mn5  1  0.000  0.506  0.252  1.0
  O  O6  1  0.296  0.295  0.246  1.0
  O  O7  1  0.705  0.704  0.246  1.0
  O  O8  1  0.705  0.704  0.754  1.0
  O  O9  1  0.296  0.295  0.754  1.0
  O  O10  1  0.202  0.798  0.196  1.0
  O  O11  1  0.799  0.201  0.287  1.0
  O  O12  1  0.799  0.201  0.713  1.0
  O  O13  1  0.202  0.798  0.804  1.0
  O  O14  1  0.555  0.038  0.000  1.0
  O  O15  1  0.447  0.943  0.500  1.0
  O  O16  1  0.962  0.445  0.000  1.0
  O  O17  1  0.057  0.553  0.500  1.0
[/CIF]
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The structure described by CaDyMn4O12 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Dy(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Dy(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Dy(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaDyMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.302
_cell_length_c   7.496
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.330
_symmetry_Int_Tables_number   1
_cell_volume   210.680
_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
  Ca  Ca0  1  0.514  0.486  0.500  1.0
  Dy  Dy1  1  0.975  0.025  0.000  1.0
  Mn  Mn2  1  0.494  1.000  0.252  1.0
  Mn  Mn3  1  0.494  1.000  0.748  1.0
  Mn  Mn4  1  0.000  0.506  0.748  1.0
  Mn  Mn5  1  0.000  0.506  0.252  1.0
  O  O6  1  0.296  0.295  0.246  1.0
  O  O7  1  0.705  0.704  0.246  1.0
  O  O8  1  0.705  0.704  0.754  1.0
  O  O9  1  0.296  0.295  0.754  1.0
  O  O10  1  0.202  0.798  0.196  1.0
  O  O11  1  0.799  0.201  0.287  1.0
  O  O12  1  0.799  0.201  0.713  1.0
  O  O13  1  0.202  0.798  0.804  1.0
  O  O14  1  0.555  0.038  0.000  1.0
  O  O15  1  0.447  0.943  0.500  1.0
  O  O16  1  0.962  0.445  0.000  1.0
  O  O17  1  0.057  0.553  0.500  1.0
[/CIF]
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