The compound described by LiHo2Cu(SiO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(12), one O(2), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ho(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ho(2), one Cu(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Ho(1), one Ho(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ho(2), one Cu(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ho(1), one Cu(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ho(1), one Ho(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Ho(1), one Ho(2), and one Si(4) atom. is represented by the CIF card [CIF]
data_LiHo2Cu(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   7.126
_cell_length_c   7.767
_cell_angle_alpha   64.452
_cell_angle_beta   85.859
_cell_angle_gamma   76.397
_symmetry_Int_Tables_number   1
_cell_volume   252.388
_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
  Li  Li0  1  0.486  0.198  0.589  1.0
  Ho  Ho1  1  0.018  0.786  0.425  1.0
  Ho  Ho2  1  0.981  0.221  0.562  1.0
  Cu  Cu3  1  0.995  0.999  1.000  1.0
  Si  Si4  1  0.574  0.600  0.215  1.0
  Si  Si5  1  0.420  0.405  0.787  1.0
  Si  Si6  1  0.445  0.183  0.221  1.0
  Si  Si7  1  0.559  0.807  0.781  1.0
  O  O8  1  0.295  0.760  0.209  1.0
  O  O9  1  0.687  0.240  0.773  1.0
  O  O10  1  0.314  0.335  0.004  1.0
  O  O11  1  0.686  0.661  0.998  1.0
  O  O12  1  0.201  0.430  0.632  1.0
  O  O13  1  0.806  0.566  0.364  1.0
  O  O14  1  0.299  0.992  0.771  1.0
  O  O15  1  0.714  0.020  0.212  1.0
  O  O16  1  0.532  0.344  0.307  1.0
  O  O17  1  0.466  0.650  0.703  1.0
  O  O18  1  0.216  0.086  0.366  1.0
  O  O19  1  0.778  0.922  0.632  1.0
[/CIF]
.
The compound described by LiHo2Cu(SiO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(12), one O(2), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ho(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ho(2), one Cu(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Ho(1), one Ho(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ho(2), one Cu(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ho(1), one Cu(1), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ho(1), one Ho(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Ho(1), one Ho(2), and one Si(4) atom. is represented by the CIF card [CIF]
data_LiHo2Cu(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   7.126
_cell_length_c   7.767
_cell_angle_alpha   64.452
_cell_angle_beta   85.859
_cell_angle_gamma   76.397
_symmetry_Int_Tables_number   1
_cell_volume   252.388
_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
  Li  Li0  1  0.486  0.198  0.589  1.0
  Ho  Ho1  1  0.018  0.786  0.425  1.0
  Ho  Ho2  1  0.981  0.221  0.562  1.0
  Cu  Cu3  1  0.995  0.999  1.000  1.0
  Si  Si4  1  0.574  0.600  0.215  1.0
  Si  Si5  1  0.420  0.405  0.787  1.0
  Si  Si6  1  0.445  0.183  0.221  1.0
  Si  Si7  1  0.559  0.807  0.781  1.0
  O  O8  1  0.295  0.760  0.209  1.0
  O  O9  1  0.687  0.240  0.773  1.0
  O  O10  1  0.314  0.335  0.004  1.0
  O  O11  1  0.686  0.661  0.998  1.0
  O  O12  1  0.201  0.430  0.632  1.0
  O  O13  1  0.806  0.566  0.364  1.0
  O  O14  1  0.299  0.992  0.771  1.0
  O  O15  1  0.714  0.020  0.212  1.0
  O  O16  1  0.532  0.344  0.307  1.0
  O  O17  1  0.466  0.650  0.703  1.0
  O  O18  1  0.216  0.086  0.366  1.0
  O  O19  1  0.778  0.922  0.632  1.0
[/CIF]
.