The material structure described by MgEr5(MoO6)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Er(3)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the third Er site, Er(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ErO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Er(3)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Er(1), two equivalent Er(2), and one Mo(1) atom to form OEr3Mo tetrahedra that share corners with four equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with six equivalent O(2)Er4Mg trigonal bipyramids, edges with two equivalent O(1)Er3Mo tetrahedra,  an edgeedge with one O(2)Er4Mg trigonal bipyramid, and edges with two equivalent O(4)Er2MgMo2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Er(2), one Er(3), and two equivalent Er(1) atoms to form OEr4Mg trigonal bipyramids that share corners with six equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with four equivalent O(2)Er4Mg trigonal bipyramids,  an edgeedge with one O(1)Er3Mo tetrahedra, edges with two equivalent O(4)Er2MgMo2 trigonal bipyramids, edges with three equivalent O(2)Er4Mg trigonal bipyramids, and  a faceface with one O(2)Er4Mg trigonal bipyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Er(3) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Er(1), one Er(2), and two equivalent Mo(1) atoms to form distorted OEr2MgMo2 trigonal bipyramids that share corners with two equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with two equivalent O(2)Er4Mg trigonal bipyramids, edges with four equivalent O(1)Er3Mo tetrahedra,  an edgeedge with one O(4)Er2MgMo2 trigonal bipyramid, and edges with four equivalent O(2)Er4Mg trigonal bipyramids. is represented by the CIF card [CIF]
data_Er5Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   6.891
_cell_length_c   7.261
_cell_angle_alpha   104.830
_cell_angle_beta   90.000
_cell_angle_gamma   115.800
_symmetry_Int_Tables_number   1
_cell_volume   259.086
_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  0.289  0.577  0.643  1.0
  Er  Er1  1  0.711  0.423  0.357  1.0
  Er  Er2  1  0.299  0.598  0.141  1.0
  Er  Er3  1  0.701  0.402  0.859  1.0
  Er  Er4  1  0.000  0.000  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Mo  Mo6  1  0.763  0.000  0.000  1.0
  Mo  Mo7  1  0.237  0.000  0.000  1.0
  O  O8  1  0.906  0.353  0.105  1.0
  O  O9  1  0.447  0.353  0.105  1.0
  O  O10  1  0.094  0.647  0.895  1.0
  O  O11  1  0.553  0.647  0.895  1.0
  O  O12  1  0.129  0.723  0.442  1.0
  O  O13  1  0.594  0.723  0.442  1.0
  O  O14  1  0.871  0.277  0.558  1.0
  O  O15  1  0.406  0.277  0.558  1.0
  O  O16  1  0.989  0.978  0.197  1.0
  O  O17  1  0.011  0.022  0.803  1.0
  O  O18  1  0.496  0.991  0.203  1.0
  O  O19  1  0.504  0.009  0.797  1.0
[/CIF]
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The material structure described by MgEr5(MoO6)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Er(3)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the third Er site, Er(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ErO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Er(3)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Er(1), two equivalent Er(2), and one Mo(1) atom to form OEr3Mo tetrahedra that share corners with four equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with six equivalent O(2)Er4Mg trigonal bipyramids, edges with two equivalent O(1)Er3Mo tetrahedra,  an edgeedge with one O(2)Er4Mg trigonal bipyramid, and edges with two equivalent O(4)Er2MgMo2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Er(2), one Er(3), and two equivalent Er(1) atoms to form OEr4Mg trigonal bipyramids that share corners with six equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with four equivalent O(2)Er4Mg trigonal bipyramids,  an edgeedge with one O(1)Er3Mo tetrahedra, edges with two equivalent O(4)Er2MgMo2 trigonal bipyramids, edges with three equivalent O(2)Er4Mg trigonal bipyramids, and  a faceface with one O(2)Er4Mg trigonal bipyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Er(3) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Er(1), one Er(2), and two equivalent Mo(1) atoms to form distorted OEr2MgMo2 trigonal bipyramids that share corners with two equivalent O(1)Er3Mo tetrahedra,  a cornercorner with one O(4)Er2MgMo2 trigonal bipyramid, corners with two equivalent O(2)Er4Mg trigonal bipyramids, edges with four equivalent O(1)Er3Mo tetrahedra,  an edgeedge with one O(4)Er2MgMo2 trigonal bipyramid, and edges with four equivalent O(2)Er4Mg trigonal bipyramids. is represented by the CIF card [CIF]
data_Er5Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   6.891
_cell_length_c   7.261
_cell_angle_alpha   104.830
_cell_angle_beta   90.000
_cell_angle_gamma   115.800
_symmetry_Int_Tables_number   1
_cell_volume   259.086
_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  0.289  0.577  0.643  1.0
  Er  Er1  1  0.711  0.423  0.357  1.0
  Er  Er2  1  0.299  0.598  0.141  1.0
  Er  Er3  1  0.701  0.402  0.859  1.0
  Er  Er4  1  0.000  0.000  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Mo  Mo6  1  0.763  0.000  0.000  1.0
  Mo  Mo7  1  0.237  0.000  0.000  1.0
  O  O8  1  0.906  0.353  0.105  1.0
  O  O9  1  0.447  0.353  0.105  1.0
  O  O10  1  0.094  0.647  0.895  1.0
  O  O11  1  0.553  0.647  0.895  1.0
  O  O12  1  0.129  0.723  0.442  1.0
  O  O13  1  0.594  0.723  0.442  1.0
  O  O14  1  0.871  0.277  0.558  1.0
  O  O15  1  0.406  0.277  0.558  1.0
  O  O16  1  0.989  0.978  0.197  1.0
  O  O17  1  0.011  0.022  0.803  1.0
  O  O18  1  0.496  0.991  0.203  1.0
  O  O19  1  0.504  0.009  0.797  1.0
[/CIF]
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