The structure described by CaHo(MoO3)2 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom to form distorted corner-sharing OCaHoMo2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom to form distorted corner-sharing OCaHoMo2 trigonal pyramids. is represented by the CIF card [CIF]
data_CaHo(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.792
_cell_length_b   5.479
_cell_length_c   9.669
_cell_angle_alpha   56.059
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.547
_cell_formula_units_Z   2
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  0.696  0.263  0.249  1.0
  Ca  Ca1  1  0.304  0.263  0.749  1.0
  Ho  Ho2  1  0.185  0.726  0.251  1.0
  Ho  Ho3  1  0.815  0.726  0.751  1.0
  Mo  Mo4  1  0.748  0.999  1.000  1.0
  Mo  Mo5  1  0.747  0.499  0.500  1.0
  Mo  Mo6  1  0.252  0.999  0.500  1.0
  Mo  Mo7  1  0.253  0.499  1.000  1.0
  O  O8  1  0.698  0.120  0.745  1.0
  O  O9  1  0.435  0.744  0.065  1.0
  O  O10  1  0.440  0.388  0.438  1.0
  O  O11  1  0.960  0.627  0.066  1.0
  O  O12  1  0.949  0.270  0.436  1.0
  O  O13  1  0.188  0.860  0.754  1.0
  O  O14  1  0.302  0.120  0.245  1.0
  O  O15  1  0.565  0.744  0.565  1.0
  O  O16  1  0.560  0.388  0.938  1.0
  O  O17  1  0.051  0.270  0.936  1.0
  O  O18  1  0.040  0.627  0.566  1.0
  O  O19  1  0.812  0.860  0.254  1.0
[/CIF]
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The structure described by CaHo(MoO3)2 crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom to form distorted corner-sharing OCaHoMo2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Ho(1), one Mo(1), and one Mo(2) atom to form distorted corner-sharing OCaHoMo2 trigonal pyramids. is represented by the CIF card [CIF]
data_CaHo(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.792
_cell_length_b   5.479
_cell_length_c   9.669
_cell_angle_alpha   56.059
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.547
_cell_formula_units_Z   2
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  0.696  0.263  0.249  1.0
  Ca  Ca1  1  0.304  0.263  0.749  1.0
  Ho  Ho2  1  0.185  0.726  0.251  1.0
  Ho  Ho3  1  0.815  0.726  0.751  1.0
  Mo  Mo4  1  0.748  0.999  1.000  1.0
  Mo  Mo5  1  0.747  0.499  0.500  1.0
  Mo  Mo6  1  0.252  0.999  0.500  1.0
  Mo  Mo7  1  0.253  0.499  1.000  1.0
  O  O8  1  0.698  0.120  0.745  1.0
  O  O9  1  0.435  0.744  0.065  1.0
  O  O10  1  0.440  0.388  0.438  1.0
  O  O11  1  0.960  0.627  0.066  1.0
  O  O12  1  0.949  0.270  0.436  1.0
  O  O13  1  0.188  0.860  0.754  1.0
  O  O14  1  0.302  0.120  0.245  1.0
  O  O15  1  0.565  0.744  0.565  1.0
  O  O16  1  0.560  0.388  0.938  1.0
  O  O17  1  0.051  0.270  0.936  1.0
  O  O18  1  0.040  0.627  0.566  1.0
  O  O19  1  0.812  0.860  0.254  1.0
[/CIF]
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