The compound described by AlSb3Se2O8Cl crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one Cl(1), and one Cl(2) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Sb site, Sb(3) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Al(1), one Sb(3), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing OAlSb3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(2), one Sb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one Se(2) atom. In the sixth O site, O(6) is bonded to one Al(2), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing OAlSb3 trigonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSb3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   8.005
_cell_length_c   9.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.573
_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
  Al  Al0  1  0.668  0.500  0.500  1.0
  Al  Al1  1  0.332  0.000  0.000  1.0
  Sb  Sb2  1  0.002  0.243  0.755  1.0
  Sb  Sb3  1  0.002  0.243  0.245  1.0
  Sb  Sb4  1  0.002  0.757  0.755  1.0
  Sb  Sb5  1  0.866  0.000  0.000  1.0
  Sb  Sb6  1  0.109  0.500  0.500  1.0
  Sb  Sb7  1  0.002  0.757  0.245  1.0
  Se  Se8  1  0.555  0.000  0.688  1.0
  Se  Se9  1  0.446  0.500  0.812  1.0
  Se  Se10  1  0.555  0.000  0.312  1.0
  Se  Se11  1  0.446  0.500  0.188  1.0
  Cl  Cl12  1  0.914  0.500  0.000  1.0
  Cl  Cl13  1  0.087  0.000  0.500  1.0
  O  O14  1  0.861  0.500  0.638  1.0
  O  O15  1  0.468  0.500  0.626  1.0
  O  O16  1  0.534  0.000  0.125  1.0
  O  O17  1  0.703  0.170  0.668  1.0
  O  O18  1  0.297  0.330  0.168  1.0
  O  O19  1  0.297  0.670  0.168  1.0
  O  O20  1  0.144  0.000  0.860  1.0
  O  O21  1  0.703  0.830  0.668  1.0
  O  O22  1  0.703  0.830  0.332  1.0
  O  O23  1  0.297  0.670  0.832  1.0
  O  O24  1  0.861  0.500  0.362  1.0
  O  O25  1  0.144  0.000  0.140  1.0
  O  O26  1  0.297  0.330  0.832  1.0
  O  O27  1  0.703  0.170  0.332  1.0
  O  O28  1  0.534  0.000  0.875  1.0
  O  O29  1  0.468  0.500  0.374  1.0
[/CIF]
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The compound described by AlSb3Se2O8Cl crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), one O(6), one Cl(1), and one Cl(2) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Sb site, Sb(3) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Al(1), one Sb(3), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing OAlSb3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(2), one Sb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one Se(2) atom. In the sixth O site, O(6) is bonded to one Al(2), one Sb(2), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing OAlSb3 trigonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSb3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.943
_cell_length_b   8.005
_cell_length_c   9.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.573
_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
  Al  Al0  1  0.668  0.500  0.500  1.0
  Al  Al1  1  0.332  0.000  0.000  1.0
  Sb  Sb2  1  0.002  0.243  0.755  1.0
  Sb  Sb3  1  0.002  0.243  0.245  1.0
  Sb  Sb4  1  0.002  0.757  0.755  1.0
  Sb  Sb5  1  0.866  0.000  0.000  1.0
  Sb  Sb6  1  0.109  0.500  0.500  1.0
  Sb  Sb7  1  0.002  0.757  0.245  1.0
  Se  Se8  1  0.555  0.000  0.688  1.0
  Se  Se9  1  0.446  0.500  0.812  1.0
  Se  Se10  1  0.555  0.000  0.312  1.0
  Se  Se11  1  0.446  0.500  0.188  1.0
  Cl  Cl12  1  0.914  0.500  0.000  1.0
  Cl  Cl13  1  0.087  0.000  0.500  1.0
  O  O14  1  0.861  0.500  0.638  1.0
  O  O15  1  0.468  0.500  0.626  1.0
  O  O16  1  0.534  0.000  0.125  1.0
  O  O17  1  0.703  0.170  0.668  1.0
  O  O18  1  0.297  0.330  0.168  1.0
  O  O19  1  0.297  0.670  0.168  1.0
  O  O20  1  0.144  0.000  0.860  1.0
  O  O21  1  0.703  0.830  0.668  1.0
  O  O22  1  0.703  0.830  0.332  1.0
  O  O23  1  0.297  0.670  0.832  1.0
  O  O24  1  0.861  0.500  0.362  1.0
  O  O25  1  0.144  0.000  0.140  1.0
  O  O26  1  0.297  0.330  0.832  1.0
  O  O27  1  0.703  0.170  0.332  1.0
  O  O28  1  0.534  0.000  0.875  1.0
  O  O29  1  0.468  0.500  0.374  1.0
[/CIF]
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