The material described by MgHo(CoO3)2 crystallizes in the monoclinic Pc space group. Mg(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 Co sites. In the first Co site, Co(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 CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. In the second Co site, Co(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 CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OHoMgCo2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ho(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ho(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Ho(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OHoMgCo2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoMg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.137
_cell_length_c   8.895
_cell_angle_alpha   56.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.301
_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
  Ho  Ho0  1  0.167  0.725  0.253  1.0
  Ho  Ho1  1  0.833  0.725  0.753  1.0
  Mg  Mg2  1  0.677  0.278  0.247  1.0
  Mg  Mg3  1  0.323  0.278  0.747  1.0
  Co  Co4  1  0.738  0.997  0.002  1.0
  Co  Co5  1  0.740  0.496  0.500  1.0
  Co  Co6  1  0.262  0.997  0.502  1.0
  Co  Co7  1  0.260  0.496  1.000  1.0
  O  O8  1  0.701  0.126  0.763  1.0
  O  O9  1  0.436  0.726  0.064  1.0
  O  O10  1  0.443  0.362  0.438  1.0
  O  O11  1  0.928  0.632  0.058  1.0
  O  O12  1  0.922  0.261  0.437  1.0
  O  O13  1  0.220  0.900  0.735  1.0
  O  O14  1  0.299  0.126  0.263  1.0
  O  O15  1  0.564  0.726  0.564  1.0
  O  O16  1  0.557  0.362  0.938  1.0
  O  O17  1  0.078  0.261  0.937  1.0
  O  O18  1  0.072  0.632  0.558  1.0
  O  O19  1  0.780  0.900  0.235  1.0
[/CIF]
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The material described by MgHo(CoO3)2 crystallizes in the monoclinic Pc space group. Mg(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 Co sites. In the first Co site, Co(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 CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. In the second Co site, Co(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 CoO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OHoMgCo2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ho(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ho(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Ho(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OHoMgCo2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoMg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.137
_cell_length_c   8.895
_cell_angle_alpha   56.418
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.301
_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
  Ho  Ho0  1  0.167  0.725  0.253  1.0
  Ho  Ho1  1  0.833  0.725  0.753  1.0
  Mg  Mg2  1  0.677  0.278  0.247  1.0
  Mg  Mg3  1  0.323  0.278  0.747  1.0
  Co  Co4  1  0.738  0.997  0.002  1.0
  Co  Co5  1  0.740  0.496  0.500  1.0
  Co  Co6  1  0.262  0.997  0.502  1.0
  Co  Co7  1  0.260  0.496  1.000  1.0
  O  O8  1  0.701  0.126  0.763  1.0
  O  O9  1  0.436  0.726  0.064  1.0
  O  O10  1  0.443  0.362  0.438  1.0
  O  O11  1  0.928  0.632  0.058  1.0
  O  O12  1  0.922  0.261  0.437  1.0
  O  O13  1  0.220  0.900  0.735  1.0
  O  O14  1  0.299  0.126  0.263  1.0
  O  O15  1  0.564  0.726  0.564  1.0
  O  O16  1  0.557  0.362  0.938  1.0
  O  O17  1  0.078  0.261  0.937  1.0
  O  O18  1  0.072  0.632  0.558  1.0
  O  O19  1  0.780  0.900  0.235  1.0
[/CIF]
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