The material described by Ho2Cu(B2O5)2 is Esseneite-like structured and crystallizes in the monoclinic P2_1/c space group. Ho(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with three equivalent B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent B(1)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ho(1), one Cu(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ho(1), one Cu(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one Cu(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ho(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ho(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Ho2Cu(B2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.290
_cell_length_b   4.605
_cell_length_c   9.360
_cell_angle_alpha   89.535
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.206
_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  0.395  0.004  0.835  1.0
  Ho  Ho1  1  0.895  0.996  0.665  1.0
  Ho  Ho2  1  0.105  0.004  0.335  1.0
  Ho  Ho3  1  0.605  0.996  0.165  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  B  B6  1  0.268  0.540  0.081  1.0
  B  B7  1  0.768  0.460  0.419  1.0
  B  B8  1  0.732  0.460  0.919  1.0
  B  B9  1  0.232  0.540  0.581  1.0
  B  B10  1  0.599  0.528  0.662  1.0
  B  B11  1  0.099  0.472  0.838  1.0
  B  B12  1  0.401  0.472  0.338  1.0
  B  B13  1  0.901  0.528  0.162  1.0
  O  O14  1  0.411  0.785  0.334  1.0
  O  O15  1  0.589  0.215  0.666  1.0
  O  O16  1  0.087  0.677  0.138  1.0
  O  O17  1  0.587  0.323  0.362  1.0
  O  O18  1  0.913  0.323  0.862  1.0
  O  O19  1  0.089  0.785  0.834  1.0
  O  O20  1  0.778  0.641  0.047  1.0
  O  O21  1  0.278  0.359  0.453  1.0
  O  O22  1  0.222  0.359  0.953  1.0
  O  O23  1  0.722  0.641  0.547  1.0
  O  O24  1  0.834  0.657  0.300  1.0
  O  O25  1  0.334  0.343  0.200  1.0
  O  O26  1  0.166  0.343  0.700  1.0
  O  O27  1  0.666  0.657  0.800  1.0
  O  O28  1  0.112  0.771  0.542  1.0
  O  O29  1  0.612  0.229  0.958  1.0
  O  O30  1  0.888  0.229  0.458  1.0
  O  O31  1  0.388  0.771  0.042  1.0
  O  O32  1  0.413  0.677  0.638  1.0
  O  O33  1  0.911  0.215  0.166  1.0
[/CIF]
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The material described by Ho2Cu(B2O5)2 is Esseneite-like structured and crystallizes in the monoclinic P2_1/c space group. Ho(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent B(2)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form BO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with three equivalent B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-70°. In the second B site, B(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent B(1)O4 tetrahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ho(1), one Cu(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ho(1), one Cu(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one Cu(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ho(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ho(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Ho2Cu(B2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.290
_cell_length_b   4.605
_cell_length_c   9.360
_cell_angle_alpha   89.535
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.206
_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  0.395  0.004  0.835  1.0
  Ho  Ho1  1  0.895  0.996  0.665  1.0
  Ho  Ho2  1  0.105  0.004  0.335  1.0
  Ho  Ho3  1  0.605  0.996  0.165  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  B  B6  1  0.268  0.540  0.081  1.0
  B  B7  1  0.768  0.460  0.419  1.0
  B  B8  1  0.732  0.460  0.919  1.0
  B  B9  1  0.232  0.540  0.581  1.0
  B  B10  1  0.599  0.528  0.662  1.0
  B  B11  1  0.099  0.472  0.838  1.0
  B  B12  1  0.401  0.472  0.338  1.0
  B  B13  1  0.901  0.528  0.162  1.0
  O  O14  1  0.411  0.785  0.334  1.0
  O  O15  1  0.589  0.215  0.666  1.0
  O  O16  1  0.087  0.677  0.138  1.0
  O  O17  1  0.587  0.323  0.362  1.0
  O  O18  1  0.913  0.323  0.862  1.0
  O  O19  1  0.089  0.785  0.834  1.0
  O  O20  1  0.778  0.641  0.047  1.0
  O  O21  1  0.278  0.359  0.453  1.0
  O  O22  1  0.222  0.359  0.953  1.0
  O  O23  1  0.722  0.641  0.547  1.0
  O  O24  1  0.834  0.657  0.300  1.0
  O  O25  1  0.334  0.343  0.200  1.0
  O  O26  1  0.166  0.343  0.700  1.0
  O  O27  1  0.666  0.657  0.800  1.0
  O  O28  1  0.112  0.771  0.542  1.0
  O  O29  1  0.612  0.229  0.958  1.0
  O  O30  1  0.888  0.229  0.458  1.0
  O  O31  1  0.388  0.771  0.042  1.0
  O  O32  1  0.413  0.677  0.638  1.0
  O  O33  1  0.911  0.215  0.166  1.0
[/CIF]
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