The material structure described by HgB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Hg(1) is bonded in a distorted pentagonal planar geometry to one O(4), two equivalent O(1), and two equivalent O(2) 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(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Hg(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(1) and two equivalent B(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.242
_cell_length_b   4.448
_cell_length_c   10.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.379
_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
  Hg  Hg0  1  0.393  0.177  0.500  1.0
  Hg  Hg1  1  0.893  0.823  0.000  1.0
  B  B2  1  0.409  0.326  0.879  1.0
  B  B3  1  0.931  0.173  0.249  1.0
  B  B4  1  0.431  0.827  0.251  1.0
  B  B5  1  0.909  0.674  0.621  1.0
  B  B6  1  0.909  0.674  0.379  1.0
  B  B7  1  0.409  0.326  0.121  1.0
  B  B8  1  0.931  0.173  0.751  1.0
  B  B9  1  0.431  0.827  0.749  1.0
  O  O10  1  0.072  0.267  0.135  1.0
  O  O11  1  0.572  0.733  0.365  1.0
  O  O12  1  0.480  0.644  0.858  1.0
  O  O13  1  0.980  0.356  0.642  1.0
  O  O14  1  0.980  0.356  0.358  1.0
  O  O15  1  0.480  0.644  0.142  1.0
  O  O16  1  0.576  0.133  0.779  1.0
  O  O17  1  0.076  0.867  0.721  1.0
  O  O18  1  0.076  0.867  0.279  1.0
  O  O19  1  0.576  0.133  0.221  1.0
  O  O20  1  0.517  0.233  0.000  1.0
  O  O21  1  0.017  0.767  0.500  1.0
  O  O22  1  0.072  0.267  0.865  1.0
  O  O23  1  0.572  0.733  0.635  1.0
[/CIF]
.
The material structure described by HgB4O7 crystallizes in the orthorhombic Pmn2_1 space group. Hg(1) is bonded in a distorted pentagonal planar geometry to one O(4), two equivalent O(1), and two equivalent O(2) 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(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Hg(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one B(1) and two equivalent B(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.242
_cell_length_b   4.448
_cell_length_c   10.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.379
_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
  Hg  Hg0  1  0.393  0.177  0.500  1.0
  Hg  Hg1  1  0.893  0.823  0.000  1.0
  B  B2  1  0.409  0.326  0.879  1.0
  B  B3  1  0.931  0.173  0.249  1.0
  B  B4  1  0.431  0.827  0.251  1.0
  B  B5  1  0.909  0.674  0.621  1.0
  B  B6  1  0.909  0.674  0.379  1.0
  B  B7  1  0.409  0.326  0.121  1.0
  B  B8  1  0.931  0.173  0.751  1.0
  B  B9  1  0.431  0.827  0.749  1.0
  O  O10  1  0.072  0.267  0.135  1.0
  O  O11  1  0.572  0.733  0.365  1.0
  O  O12  1  0.480  0.644  0.858  1.0
  O  O13  1  0.980  0.356  0.642  1.0
  O  O14  1  0.980  0.356  0.358  1.0
  O  O15  1  0.480  0.644  0.142  1.0
  O  O16  1  0.576  0.133  0.779  1.0
  O  O17  1  0.076  0.867  0.721  1.0
  O  O18  1  0.076  0.867  0.279  1.0
  O  O19  1  0.576  0.133  0.221  1.0
  O  O20  1  0.517  0.233  0.000  1.0
  O  O21  1  0.017  0.767  0.500  1.0
  O  O22  1  0.072  0.267  0.865  1.0
  O  O23  1  0.572  0.733  0.635  1.0
[/CIF]
.