The crystal structure described by Ca3HoMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Mn(2) atoms to form distorted corner-sharing OCaHoMn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one Ho(1), and two equivalent Mn(1) atoms to form distorted OCaHoMn2 tetrahedra that share corners with two equivalent O(4)Ca2Mn2 tetrahedra and corners with two equivalent O(1)CaHoMn2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(3), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ho(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ho(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ho(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3HoMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   5.347
_cell_length_c   5.468
_cell_angle_alpha   89.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.588
_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  0.500  0.009  0.049  1.0
  Ca  Ca1  1  0.000  0.509  0.455  1.0
  Ca  Ca2  1  0.000  0.990  0.953  1.0
  Ho  Ho3  1  0.500  0.487  0.561  1.0
  Mn  Mn4  1  0.249  0.998  0.499  1.0
  Mn  Mn5  1  0.751  0.502  0.004  1.0
  Mn  Mn6  1  0.751  0.998  0.499  1.0
  Mn  Mn7  1  0.249  0.502  0.004  1.0
  O  O8  1  0.500  0.581  0.973  1.0
  O  O9  1  0.500  0.906  0.480  1.0
  O  O10  1  0.000  0.418  0.023  1.0
  O  O11  1  0.000  0.079  0.525  1.0
  O  O12  1  0.300  0.214  0.785  1.0
  O  O13  1  0.701  0.300  0.298  1.0
  O  O14  1  0.790  0.799  0.204  1.0
  O  O15  1  0.216  0.699  0.702  1.0
  O  O16  1  0.210  0.799  0.204  1.0
  O  O17  1  0.784  0.699  0.702  1.0
  O  O18  1  0.700  0.214  0.785  1.0
  O  O19  1  0.299  0.300  0.298  1.0
[/CIF]
.
The crystal structure described by Ca3HoMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Mn(2) atoms to form distorted corner-sharing OCaHoMn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one Ho(1), and two equivalent Mn(1) atoms to form distorted OCaHoMn2 tetrahedra that share corners with two equivalent O(4)Ca2Mn2 tetrahedra and corners with two equivalent O(1)CaHoMn2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to one Ca(2), one Ca(3), and two equivalent Mn(1) atoms to form distorted corner-sharing OCa2Mn2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ho(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ho(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ho(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3HoMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   5.347
_cell_length_c   5.468
_cell_angle_alpha   89.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.588
_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  0.500  0.009  0.049  1.0
  Ca  Ca1  1  0.000  0.509  0.455  1.0
  Ca  Ca2  1  0.000  0.990  0.953  1.0
  Ho  Ho3  1  0.500  0.487  0.561  1.0
  Mn  Mn4  1  0.249  0.998  0.499  1.0
  Mn  Mn5  1  0.751  0.502  0.004  1.0
  Mn  Mn6  1  0.751  0.998  0.499  1.0
  Mn  Mn7  1  0.249  0.502  0.004  1.0
  O  O8  1  0.500  0.581  0.973  1.0
  O  O9  1  0.500  0.906  0.480  1.0
  O  O10  1  0.000  0.418  0.023  1.0
  O  O11  1  0.000  0.079  0.525  1.0
  O  O12  1  0.300  0.214  0.785  1.0
  O  O13  1  0.701  0.300  0.298  1.0
  O  O14  1  0.790  0.799  0.204  1.0
  O  O15  1  0.216  0.699  0.702  1.0
  O  O16  1  0.210  0.799  0.204  1.0
  O  O17  1  0.784  0.699  0.702  1.0
  O  O18  1  0.700  0.214  0.785  1.0
  O  O19  1  0.299  0.300  0.298  1.0
[/CIF]
.