The material described by Er6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. In the second Er site, Er(2) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form ErO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Er(3)O4 tetrahedra, and  an edgeedge with one Er(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-42°. In the third Er site, Er(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted ErO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with three equivalent Er(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Er(3)O4 tetrahedra and corners with four equivalent Er(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Er(1), one Er(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Er(2), two equivalent Er(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Er(3) and two equivalent Er(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Er(3) and two equivalent Er(1) atoms. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Er(1), one Er(2), and one Er(3) atom. is represented by the CIF card [CIF]
data_Er6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.059
_cell_length_b   5.199
_cell_length_c   7.964
_cell_angle_alpha   115.667
_cell_angle_beta   94.830
_cell_angle_gamma   61.790
_symmetry_Int_Tables_number   1
_cell_volume   326.983
_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
  Er  Er0  1  0.951  0.785  0.299  1.0
  Er  Er1  1  0.049  0.215  0.701  1.0
  Er  Er2  1  0.662  0.869  0.097  1.0
  Er  Er3  1  0.338  0.131  0.903  1.0
  Er  Er4  1  0.741  0.771  0.614  1.0
  Er  Er5  1  0.259  0.229  0.386  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.934  0.769  0.768  1.0
  O  O8  1  0.066  0.231  0.232  1.0
  O  O9  1  0.119  0.601  0.030  1.0
  O  O10  1  0.881  0.399  0.970  1.0
  O  O11  1  0.825  0.083  0.141  1.0
  O  O12  1  0.175  0.917  0.859  1.0
  O  O13  1  0.577  0.973  0.851  1.0
  O  O14  1  0.423  0.027  0.149  1.0
  O  O15  1  0.863  0.277  0.539  1.0
  O  O16  1  0.137  0.723  0.461  1.0
  O  O17  1  0.721  0.859  0.368  1.0
  O  O18  1  0.279  0.141  0.632  1.0
[/CIF]
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The material described by Er6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. In the second Er site, Er(2) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form ErO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Er(3)O4 tetrahedra, and  an edgeedge with one Er(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-42°. In the third Er site, Er(3) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted ErO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and corners with three equivalent Er(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 34°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Er(3)O4 tetrahedra and corners with four equivalent Er(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Er(1), one Er(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Er(2), two equivalent Er(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Er(1), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Er(3) and two equivalent Er(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Er(3) and two equivalent Er(1) atoms. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Er(1), one Er(2), and one Er(3) atom. is represented by the CIF card [CIF]
data_Er6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.059
_cell_length_b   5.199
_cell_length_c   7.964
_cell_angle_alpha   115.667
_cell_angle_beta   94.830
_cell_angle_gamma   61.790
_symmetry_Int_Tables_number   1
_cell_volume   326.983
_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
  Er  Er0  1  0.951  0.785  0.299  1.0
  Er  Er1  1  0.049  0.215  0.701  1.0
  Er  Er2  1  0.662  0.869  0.097  1.0
  Er  Er3  1  0.338  0.131  0.903  1.0
  Er  Er4  1  0.741  0.771  0.614  1.0
  Er  Er5  1  0.259  0.229  0.386  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.934  0.769  0.768  1.0
  O  O8  1  0.066  0.231  0.232  1.0
  O  O9  1  0.119  0.601  0.030  1.0
  O  O10  1  0.881  0.399  0.970  1.0
  O  O11  1  0.825  0.083  0.141  1.0
  O  O12  1  0.175  0.917  0.859  1.0
  O  O13  1  0.577  0.973  0.851  1.0
  O  O14  1  0.423  0.027  0.149  1.0
  O  O15  1  0.863  0.277  0.539  1.0
  O  O16  1  0.137  0.723  0.461  1.0
  O  O17  1  0.721  0.859  0.368  1.0
  O  O18  1  0.279  0.141  0.632  1.0
[/CIF]
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