The material described by BaZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Zn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Se(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1), one Zn(1), and one Se(2) atom. In the third O site, O(1) is bonded to two equivalent Ba(1), one Zn(1), and one Se(1) atom to form distorted corner-sharing OBa2ZnSe tetrahedra. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one Se(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Zn(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_BaZn(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.780
_cell_length_b   5.654
_cell_length_c   8.696
_cell_angle_alpha   56.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   689.629
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.782  0.516  0.850  1.0
  Ba  Ba1  1  0.718  0.516  0.350  1.0
  Ba  Ba2  1  0.218  0.484  0.150  1.0
  Ba  Ba3  1  0.282  0.484  0.650  1.0
  Zn  Zn4  1  0.579  0.755  0.595  1.0
  Zn  Zn5  1  0.921  0.755  0.095  1.0
  Zn  Zn6  1  0.421  0.245  0.405  1.0
  Zn  Zn7  1  0.079  0.245  0.905  1.0
  Se  Se8  1  0.868  0.043  0.334  1.0
  Se  Se9  1  0.632  0.043  0.834  1.0
  Se  Se10  1  0.132  0.957  0.666  1.0
  Se  Se11  1  0.368  0.957  0.166  1.0
  Se  Se12  1  0.434  0.792  0.830  1.0
  Se  Se13  1  0.066  0.792  0.330  1.0
  Se  Se14  1  0.566  0.208  0.170  1.0
  Se  Se15  1  0.934  0.208  0.670  1.0
  O  O16  1  0.851  0.409  0.189  1.0
  O  O17  1  0.649  0.409  0.689  1.0
  O  O18  1  0.149  0.591  0.811  1.0
  O  O19  1  0.351  0.591  0.311  1.0
  O  O20  1  0.782  0.947  0.457  1.0
  O  O21  1  0.718  0.947  0.957  1.0
  O  O22  1  0.218  0.053  0.543  1.0
  O  O23  1  0.282  0.053  0.043  1.0
  O  O24  1  0.849  0.949  0.177  1.0
  O  O25  1  0.651  0.949  0.677  1.0
  O  O26  1  0.151  0.051  0.823  1.0
  O  O27  1  0.349  0.051  0.323  1.0
  O  O28  1  0.411  0.143  0.663  1.0
  O  O29  1  0.089  0.143  0.163  1.0
  O  O30  1  0.589  0.857  0.337  1.0
  O  O31  1  0.911  0.857  0.837  1.0
  O  O32  1  0.345  0.625  0.895  1.0
  O  O33  1  0.155  0.625  0.395  1.0
  O  O34  1  0.655  0.375  0.105  1.0
  O  O35  1  0.845  0.375  0.605  1.0
  O  O36  1  0.468  0.693  0.684  1.0
  O  O37  1  0.032  0.693  0.184  1.0
  O  O38  1  0.532  0.307  0.316  1.0
  O  O39  1  0.968  0.307  0.816  1.0
[/CIF]
.
The material described by BaZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. Zn(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Se(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Ba(1), one Zn(1), and one Se(2) atom. In the third O site, O(1) is bonded to two equivalent Ba(1), one Zn(1), and one Se(1) atom to form distorted corner-sharing OBa2ZnSe tetrahedra. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Se(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Zn(1), and one Se(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Zn(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_BaZn(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.780
_cell_length_b   5.654
_cell_length_c   8.696
_cell_angle_alpha   56.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   689.629
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.782  0.516  0.850  1.0
  Ba  Ba1  1  0.718  0.516  0.350  1.0
  Ba  Ba2  1  0.218  0.484  0.150  1.0
  Ba  Ba3  1  0.282  0.484  0.650  1.0
  Zn  Zn4  1  0.579  0.755  0.595  1.0
  Zn  Zn5  1  0.921  0.755  0.095  1.0
  Zn  Zn6  1  0.421  0.245  0.405  1.0
  Zn  Zn7  1  0.079  0.245  0.905  1.0
  Se  Se8  1  0.868  0.043  0.334  1.0
  Se  Se9  1  0.632  0.043  0.834  1.0
  Se  Se10  1  0.132  0.957  0.666  1.0
  Se  Se11  1  0.368  0.957  0.166  1.0
  Se  Se12  1  0.434  0.792  0.830  1.0
  Se  Se13  1  0.066  0.792  0.330  1.0
  Se  Se14  1  0.566  0.208  0.170  1.0
  Se  Se15  1  0.934  0.208  0.670  1.0
  O  O16  1  0.851  0.409  0.189  1.0
  O  O17  1  0.649  0.409  0.689  1.0
  O  O18  1  0.149  0.591  0.811  1.0
  O  O19  1  0.351  0.591  0.311  1.0
  O  O20  1  0.782  0.947  0.457  1.0
  O  O21  1  0.718  0.947  0.957  1.0
  O  O22  1  0.218  0.053  0.543  1.0
  O  O23  1  0.282  0.053  0.043  1.0
  O  O24  1  0.849  0.949  0.177  1.0
  O  O25  1  0.651  0.949  0.677  1.0
  O  O26  1  0.151  0.051  0.823  1.0
  O  O27  1  0.349  0.051  0.323  1.0
  O  O28  1  0.411  0.143  0.663  1.0
  O  O29  1  0.089  0.143  0.163  1.0
  O  O30  1  0.589  0.857  0.337  1.0
  O  O31  1  0.911  0.857  0.837  1.0
  O  O32  1  0.345  0.625  0.895  1.0
  O  O33  1  0.155  0.625  0.395  1.0
  O  O34  1  0.655  0.375  0.105  1.0
  O  O35  1  0.845  0.375  0.605  1.0
  O  O36  1  0.468  0.693  0.684  1.0
  O  O37  1  0.032  0.693  0.184  1.0
  O  O38  1  0.532  0.307  0.316  1.0
  O  O39  1  0.968  0.307  0.816  1.0
[/CIF]
.