The crystal structure described by LaB4O8Cl crystallizes in the monoclinic Cc space group. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four 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 corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(8) atom. In the third B site, B(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(4) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(3), and one B(4) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one La(1) and one B(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(2), and one B(3) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(2), and one B(4) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one B(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(3) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaB4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   9.878
_cell_angle_alpha   82.058
_cell_angle_beta   82.058
_cell_angle_gamma   119.715
_symmetry_Int_Tables_number   1
_cell_volume   357.813
_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
  La  La0  1  0.568  0.157  0.908  1.0
  La  La1  1  0.157  0.568  0.408  1.0
  B  B2  1  0.129  0.312  0.779  1.0
  B  B3  1  0.312  0.129  0.279  1.0
  B  B4  1  0.504  0.612  0.829  1.0
  B  B5  1  0.612  0.504  0.329  1.0
  B  B6  1  0.223  0.733  0.756  1.0
  B  B7  1  0.733  0.223  0.256  1.0
  B  B8  1  0.936  0.866  0.842  1.0
  B  B9  1  0.866  0.936  0.342  1.0
  Cl  Cl10  1  0.679  0.325  0.602  1.0
  Cl  Cl11  1  0.325  0.679  0.102  1.0
  O  O12  1  0.722  0.650  0.856  1.0
  O  O13  1  0.650  0.722  0.356  1.0
  O  O14  1  0.366  0.184  0.126  1.0
  O  O15  1  0.184  0.366  0.626  1.0
  O  O16  1  0.342  0.372  0.837  1.0
  O  O17  1  0.372  0.342  0.337  1.0
  O  O18  1  0.039  0.472  0.808  1.0
  O  O19  1  0.472  0.039  0.308  1.0
  O  O20  1  0.926  0.068  0.848  1.0
  O  O21  1  0.068  0.926  0.348  1.0
  O  O22  1  0.153  0.880  0.825  1.0
  O  O23  1  0.880  0.153  0.325  1.0
  O  O24  1  0.767  0.233  0.106  1.0
  O  O25  1  0.233  0.767  0.606  1.0
  O  O26  1  0.459  0.790  0.788  1.0
  O  O27  1  0.790  0.459  0.288  1.0
[/CIF]
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The crystal structure described by LaB4O8Cl crystallizes in the monoclinic Cc space group. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four 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 corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(8) atom. In the third B site, B(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(4) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(3), and one B(4) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one La(1) and one B(3) atom. In the fourth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(2), and one B(3) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(2), and one B(4) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one B(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(2) atom. In the eighth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one La(1), one B(1), and one B(3) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaB4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   9.878
_cell_angle_alpha   82.058
_cell_angle_beta   82.058
_cell_angle_gamma   119.715
_symmetry_Int_Tables_number   1
_cell_volume   357.813
_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
  La  La0  1  0.568  0.157  0.908  1.0
  La  La1  1  0.157  0.568  0.408  1.0
  B  B2  1  0.129  0.312  0.779  1.0
  B  B3  1  0.312  0.129  0.279  1.0
  B  B4  1  0.504  0.612  0.829  1.0
  B  B5  1  0.612  0.504  0.329  1.0
  B  B6  1  0.223  0.733  0.756  1.0
  B  B7  1  0.733  0.223  0.256  1.0
  B  B8  1  0.936  0.866  0.842  1.0
  B  B9  1  0.866  0.936  0.342  1.0
  Cl  Cl10  1  0.679  0.325  0.602  1.0
  Cl  Cl11  1  0.325  0.679  0.102  1.0
  O  O12  1  0.722  0.650  0.856  1.0
  O  O13  1  0.650  0.722  0.356  1.0
  O  O14  1  0.366  0.184  0.126  1.0
  O  O15  1  0.184  0.366  0.626  1.0
  O  O16  1  0.342  0.372  0.837  1.0
  O  O17  1  0.372  0.342  0.337  1.0
  O  O18  1  0.039  0.472  0.808  1.0
  O  O19  1  0.472  0.039  0.308  1.0
  O  O20  1  0.926  0.068  0.848  1.0
  O  O21  1  0.068  0.926  0.348  1.0
  O  O22  1  0.153  0.880  0.825  1.0
  O  O23  1  0.880  0.153  0.325  1.0
  O  O24  1  0.767  0.233  0.106  1.0
  O  O25  1  0.233  0.767  0.606  1.0
  O  O26  1  0.459  0.790  0.788  1.0
  O  O27  1  0.790  0.459  0.288  1.0
[/CIF]
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