The crystal structure described by LaB2O4Cl crystallizes in the triclinic P-1 space group. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), two equivalent O(3), three equivalent O(4), and three equivalent Cl(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one La(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 La(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaB2ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.267
_cell_length_b   6.670
_cell_length_c   8.266
_cell_angle_alpha   98.072
_cell_angle_beta   89.290
_cell_angle_gamma   107.845
_symmetry_Int_Tables_number   1
_cell_volume   221.581
_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  0.789  0.033  0.778  1.0
  La  La1  1  0.211  0.967  0.222  1.0
  B  B2  1  0.835  0.350  0.147  1.0
  B  B3  1  0.562  0.437  0.807  1.0
  B  B4  1  0.165  0.650  0.853  1.0
  B  B5  1  0.438  0.563  0.193  1.0
  Cl  Cl6  1  0.852  0.200  0.457  1.0
  Cl  Cl7  1  0.148  0.800  0.543  1.0
  O  O8  1  0.101  0.535  0.177  1.0
  O  O9  1  0.525  0.376  0.182  1.0
  O  O10  1  0.365  0.236  0.792  1.0
  O  O11  1  0.475  0.624  0.818  1.0
  O  O12  1  0.635  0.764  0.208  1.0
  O  O13  1  0.899  0.465  0.823  1.0
  O  O14  1  0.161  0.846  0.920  1.0
  O  O15  1  0.839  0.154  0.080  1.0
[/CIF]
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The crystal structure described by LaB2O4Cl crystallizes in the triclinic P-1 space group. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), two equivalent O(3), three equivalent O(4), and three equivalent Cl(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one La(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 La(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaB2ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.267
_cell_length_b   6.670
_cell_length_c   8.266
_cell_angle_alpha   98.072
_cell_angle_beta   89.290
_cell_angle_gamma   107.845
_symmetry_Int_Tables_number   1
_cell_volume   221.581
_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  0.789  0.033  0.778  1.0
  La  La1  1  0.211  0.967  0.222  1.0
  B  B2  1  0.835  0.350  0.147  1.0
  B  B3  1  0.562  0.437  0.807  1.0
  B  B4  1  0.165  0.650  0.853  1.0
  B  B5  1  0.438  0.563  0.193  1.0
  Cl  Cl6  1  0.852  0.200  0.457  1.0
  Cl  Cl7  1  0.148  0.800  0.543  1.0
  O  O8  1  0.101  0.535  0.177  1.0
  O  O9  1  0.525  0.376  0.182  1.0
  O  O10  1  0.365  0.236  0.792  1.0
  O  O11  1  0.475  0.624  0.818  1.0
  O  O12  1  0.635  0.764  0.208  1.0
  O  O13  1  0.899  0.465  0.823  1.0
  O  O14  1  0.161  0.846  0.920  1.0
  O  O15  1  0.839  0.154  0.080  1.0
[/CIF]
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