The structure described by B2O3ZrO2 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(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 Zr(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.942
_cell_length_b   4.407
_cell_length_c   8.997
_cell_angle_alpha   89.107
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.222
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.113  0.001  0.329  1.0
  Zr  Zr1  1  0.613  0.999  0.171  1.0
  Zr  Zr2  1  0.887  0.999  0.671  1.0
  Zr  Zr3  1  0.387  0.001  0.829  1.0
  B  B4  1  0.413  0.464  0.334  1.0
  B  B5  1  0.730  0.473  0.923  1.0
  B  B6  1  0.587  0.536  0.666  1.0
  B  B7  1  0.270  0.527  0.077  1.0
  B  B8  1  0.087  0.464  0.834  1.0
  B  B9  1  0.230  0.527  0.577  1.0
  B  B10  1  0.913  0.536  0.166  1.0
  B  B11  1  0.770  0.473  0.423  1.0
  O  O12  1  0.591  0.214  0.679  1.0
  O  O13  1  0.345  0.307  0.192  1.0
  O  O14  1  0.896  0.331  0.850  1.0
  O  O15  1  0.279  0.349  0.446  1.0
  O  O16  1  0.721  0.651  0.554  1.0
  O  O17  1  0.597  0.232  0.968  1.0
  O  O18  1  0.221  0.349  0.946  1.0
  O  O19  1  0.091  0.786  0.821  1.0
  O  O20  1  0.903  0.232  0.468  1.0
  O  O21  1  0.155  0.307  0.692  1.0
  O  O22  1  0.909  0.214  0.179  1.0
  O  O23  1  0.845  0.693  0.308  1.0
  O  O24  1  0.779  0.651  0.054  1.0
  O  O25  1  0.409  0.786  0.321  1.0
  O  O26  1  0.604  0.331  0.350  1.0
  O  O27  1  0.104  0.669  0.150  1.0
  O  O28  1  0.097  0.768  0.532  1.0
  O  O29  1  0.655  0.693  0.808  1.0
  O  O30  1  0.396  0.669  0.650  1.0
  O  O31  1  0.403  0.768  0.032  1.0
[/CIF]
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The structure described by B2O3ZrO2 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(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 Zr(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.942
_cell_length_b   4.407
_cell_length_c   8.997
_cell_angle_alpha   89.107
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.222
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.113  0.001  0.329  1.0
  Zr  Zr1  1  0.613  0.999  0.171  1.0
  Zr  Zr2  1  0.887  0.999  0.671  1.0
  Zr  Zr3  1  0.387  0.001  0.829  1.0
  B  B4  1  0.413  0.464  0.334  1.0
  B  B5  1  0.730  0.473  0.923  1.0
  B  B6  1  0.587  0.536  0.666  1.0
  B  B7  1  0.270  0.527  0.077  1.0
  B  B8  1  0.087  0.464  0.834  1.0
  B  B9  1  0.230  0.527  0.577  1.0
  B  B10  1  0.913  0.536  0.166  1.0
  B  B11  1  0.770  0.473  0.423  1.0
  O  O12  1  0.591  0.214  0.679  1.0
  O  O13  1  0.345  0.307  0.192  1.0
  O  O14  1  0.896  0.331  0.850  1.0
  O  O15  1  0.279  0.349  0.446  1.0
  O  O16  1  0.721  0.651  0.554  1.0
  O  O17  1  0.597  0.232  0.968  1.0
  O  O18  1  0.221  0.349  0.946  1.0
  O  O19  1  0.091  0.786  0.821  1.0
  O  O20  1  0.903  0.232  0.468  1.0
  O  O21  1  0.155  0.307  0.692  1.0
  O  O22  1  0.909  0.214  0.179  1.0
  O  O23  1  0.845  0.693  0.308  1.0
  O  O24  1  0.779  0.651  0.054  1.0
  O  O25  1  0.409  0.786  0.321  1.0
  O  O26  1  0.604  0.331  0.350  1.0
  O  O27  1  0.104  0.669  0.150  1.0
  O  O28  1  0.097  0.768  0.532  1.0
  O  O29  1  0.655  0.693  0.808  1.0
  O  O30  1  0.396  0.669  0.650  1.0
  O  O31  1  0.403  0.768  0.032  1.0
[/CIF]
.