The material structure described by PrB2O4Cl crystallizes in the triclinic P-1 space group. Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), two equivalent O(1), three equivalent O(3), 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(2), one O(3), 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(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pr(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 three equivalent Pr(1) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Pr(1), one B(1), and one B(2) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrB2ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.218
_cell_length_b   6.566
_cell_length_c   8.096
_cell_angle_alpha   97.787
_cell_angle_beta   88.979
_cell_angle_gamma   107.895
_symmetry_Int_Tables_number   1
_cell_volume   211.332
_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
  Pr  Pr0  1  0.790  0.032  0.778  1.0
  Pr  Pr1  1  0.210  0.968  0.222  1.0
  B  B2  1  0.170  0.652  0.853  1.0
  B  B3  1  0.567  0.438  0.806  1.0
  B  B4  1  0.433  0.562  0.194  1.0
  B  B5  1  0.830  0.348  0.147  1.0
  Cl  Cl6  1  0.146  0.797  0.542  1.0
  Cl  Cl7  1  0.854  0.203  0.458  1.0
  O  O8  1  0.632  0.764  0.210  1.0
  O  O9  1  0.095  0.536  0.176  1.0
  O  O10  1  0.837  0.152  0.079  1.0
  O  O11  1  0.368  0.236  0.790  1.0
  O  O12  1  0.905  0.464  0.824  1.0
  O  O13  1  0.163  0.848  0.921  1.0
  O  O14  1  0.483  0.628  0.817  1.0
  O  O15  1  0.517  0.372  0.183  1.0
[/CIF]
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The material structure described by PrB2O4Cl crystallizes in the triclinic P-1 space group. Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), two equivalent O(1), three equivalent O(3), 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(2), one O(3), 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(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Pr(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 three equivalent Pr(1) and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Pr(1), one B(1), and one B(2) atom. Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrB2ClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.218
_cell_length_b   6.566
_cell_length_c   8.096
_cell_angle_alpha   97.787
_cell_angle_beta   88.979
_cell_angle_gamma   107.895
_symmetry_Int_Tables_number   1
_cell_volume   211.332
_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
  Pr  Pr0  1  0.790  0.032  0.778  1.0
  Pr  Pr1  1  0.210  0.968  0.222  1.0
  B  B2  1  0.170  0.652  0.853  1.0
  B  B3  1  0.567  0.438  0.806  1.0
  B  B4  1  0.433  0.562  0.194  1.0
  B  B5  1  0.830  0.348  0.147  1.0
  Cl  Cl6  1  0.146  0.797  0.542  1.0
  Cl  Cl7  1  0.854  0.203  0.458  1.0
  O  O8  1  0.632  0.764  0.210  1.0
  O  O9  1  0.095  0.536  0.176  1.0
  O  O10  1  0.837  0.152  0.079  1.0
  O  O11  1  0.368  0.236  0.790  1.0
  O  O12  1  0.905  0.464  0.824  1.0
  O  O13  1  0.163  0.848  0.921  1.0
  O  O14  1  0.483  0.628  0.817  1.0
  O  O15  1  0.517  0.372  0.183  1.0
[/CIF]
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