The material described by LiHo3(GeO4)2F2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and one F(1) atom. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ho(1) and one Ge(1) atom. In the second O site, O(2) is bonded to one Li(1), one Ho(1), one Ho(2), and one Ge(1) atom to form distorted OLiHo2Ge trigonal pyramids that share  a cornercorner with one O(3)Ho3Ge tetrahedra, corners with four equivalent O(4)LiHo2Ge tetrahedra, corners with two equivalent O(2)LiHo2Ge trigonal pyramids,  an edgeedge with one O(4)LiHo2Ge tetrahedra, and edges with two equivalent O(3)Ho3Ge tetrahedra. In the third O site, O(3) is bonded to one Ho(2), two equivalent Ho(1), and one Ge(1) atom to form distorted OHo3Ge tetrahedra that share  a cornercorner with one O(3)Ho3Ge tetrahedra, corners with three equivalent O(4)LiHo2Ge tetrahedra,  a cornercorner with one O(2)LiHo2Ge trigonal pyramid,  an edgeedge with one O(3)Ho3Ge tetrahedra,  an edgeedge with one O(4)LiHo2Ge tetrahedra, and edges with two equivalent O(2)LiHo2Ge trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Ho(1), one Ho(2), and one Ge(1) atom to form distorted OLiHo2Ge tetrahedra that share corners with two equivalent O(4)LiHo2Ge tetrahedra, corners with three equivalent O(3)Ho3Ge tetrahedra, corners with four equivalent O(2)LiHo2Ge trigonal pyramids,  an edgeedge with one O(3)Ho3Ge tetrahedra, and  an edgeedge with one O(2)LiHo2Ge trigonal pyramid. F(1) is bonded in a bent 150 degrees geometry to one Ho(1) and one Ho(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiHo3Ge2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.221
_cell_length_b   9.221
_cell_length_c   11.689
_cell_angle_alpha   51.300
_cell_angle_beta   51.300
_cell_angle_gamma   32.176
_symmetry_Int_Tables_number   1
_cell_volume   401.900
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Ho  Ho2  1  0.084  0.672  0.151  1.0
  Ho  Ho3  1  0.328  0.916  0.349  1.0
  Ho  Ho4  1  0.916  0.328  0.849  1.0
  Ho  Ho5  1  0.790  0.210  0.250  1.0
  Ho  Ho6  1  0.210  0.790  0.750  1.0
  Ho  Ho7  1  0.672  0.084  0.651  1.0
  Ge  Ge8  1  0.620  0.091  0.989  1.0
  Ge  Ge9  1  0.909  0.380  0.511  1.0
  Ge  Ge10  1  0.091  0.620  0.489  1.0
  Ge  Ge11  1  0.380  0.909  0.011  1.0
  O  O12  1  0.132  0.324  0.329  1.0
  O  O13  1  0.868  0.676  0.671  1.0
  O  O14  1  0.914  0.776  0.366  1.0
  O  O15  1  0.893  0.042  0.928  1.0
  O  O16  1  0.107  0.958  0.072  1.0
  O  O17  1  0.958  0.107  0.572  1.0
  O  O18  1  0.289  0.448  0.976  1.0
  O  O19  1  0.711  0.552  0.024  1.0
  O  O20  1  0.552  0.711  0.524  1.0
  O  O21  1  0.448  0.289  0.476  1.0
  O  O22  1  0.086  0.224  0.634  1.0
  O  O23  1  0.776  0.914  0.866  1.0
  O  O24  1  0.324  0.132  0.829  1.0
  O  O25  1  0.224  0.086  0.134  1.0
  O  O26  1  0.676  0.868  0.171  1.0
  O  O27  1  0.042  0.893  0.428  1.0
  F  F28  1  0.517  0.340  0.171  1.0
  F  F29  1  0.340  0.517  0.671  1.0
  F  F30  1  0.660  0.483  0.329  1.0
  F  F31  1  0.483  0.660  0.829  1.0
[/CIF]
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The material described by LiHo3(GeO4)2F2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and one F(1) atom. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Ge(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ho(1) and one Ge(1) atom. In the second O site, O(2) is bonded to one Li(1), one Ho(1), one Ho(2), and one Ge(1) atom to form distorted OLiHo2Ge trigonal pyramids that share  a cornercorner with one O(3)Ho3Ge tetrahedra, corners with four equivalent O(4)LiHo2Ge tetrahedra, corners with two equivalent O(2)LiHo2Ge trigonal pyramids,  an edgeedge with one O(4)LiHo2Ge tetrahedra, and edges with two equivalent O(3)Ho3Ge tetrahedra. In the third O site, O(3) is bonded to one Ho(2), two equivalent Ho(1), and one Ge(1) atom to form distorted OHo3Ge tetrahedra that share  a cornercorner with one O(3)Ho3Ge tetrahedra, corners with three equivalent O(4)LiHo2Ge tetrahedra,  a cornercorner with one O(2)LiHo2Ge trigonal pyramid,  an edgeedge with one O(3)Ho3Ge tetrahedra,  an edgeedge with one O(4)LiHo2Ge tetrahedra, and edges with two equivalent O(2)LiHo2Ge trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Ho(1), one Ho(2), and one Ge(1) atom to form distorted OLiHo2Ge tetrahedra that share corners with two equivalent O(4)LiHo2Ge tetrahedra, corners with three equivalent O(3)Ho3Ge tetrahedra, corners with four equivalent O(2)LiHo2Ge trigonal pyramids,  an edgeedge with one O(3)Ho3Ge tetrahedra, and  an edgeedge with one O(2)LiHo2Ge trigonal pyramid. F(1) is bonded in a bent 150 degrees geometry to one Ho(1) and one Ho(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiHo3Ge2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.221
_cell_length_b   9.221
_cell_length_c   11.689
_cell_angle_alpha   51.300
_cell_angle_beta   51.300
_cell_angle_gamma   32.176
_symmetry_Int_Tables_number   1
_cell_volume   401.900
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Ho  Ho2  1  0.084  0.672  0.151  1.0
  Ho  Ho3  1  0.328  0.916  0.349  1.0
  Ho  Ho4  1  0.916  0.328  0.849  1.0
  Ho  Ho5  1  0.790  0.210  0.250  1.0
  Ho  Ho6  1  0.210  0.790  0.750  1.0
  Ho  Ho7  1  0.672  0.084  0.651  1.0
  Ge  Ge8  1  0.620  0.091  0.989  1.0
  Ge  Ge9  1  0.909  0.380  0.511  1.0
  Ge  Ge10  1  0.091  0.620  0.489  1.0
  Ge  Ge11  1  0.380  0.909  0.011  1.0
  O  O12  1  0.132  0.324  0.329  1.0
  O  O13  1  0.868  0.676  0.671  1.0
  O  O14  1  0.914  0.776  0.366  1.0
  O  O15  1  0.893  0.042  0.928  1.0
  O  O16  1  0.107  0.958  0.072  1.0
  O  O17  1  0.958  0.107  0.572  1.0
  O  O18  1  0.289  0.448  0.976  1.0
  O  O19  1  0.711  0.552  0.024  1.0
  O  O20  1  0.552  0.711  0.524  1.0
  O  O21  1  0.448  0.289  0.476  1.0
  O  O22  1  0.086  0.224  0.634  1.0
  O  O23  1  0.776  0.914  0.866  1.0
  O  O24  1  0.324  0.132  0.829  1.0
  O  O25  1  0.224  0.086  0.134  1.0
  O  O26  1  0.676  0.868  0.171  1.0
  O  O27  1  0.042  0.893  0.428  1.0
  F  F28  1  0.517  0.340  0.171  1.0
  F  F29  1  0.340  0.517  0.671  1.0
  F  F30  1  0.660  0.483  0.329  1.0
  F  F31  1  0.483  0.660  0.829  1.0
[/CIF]
.