The material structure described by BaZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra and corners with three equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form ZnO4 trigonal pyramids that share corners with three equivalent Ba(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-64°. 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(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(1) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one O(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Se(1), and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZn(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.525
_cell_length_b   5.618
_cell_length_c   9.873
_cell_angle_alpha   70.319
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.561
_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  0.263  0.307  0.848  1.0
  Ba  Ba1  1  0.237  0.307  0.348  1.0
  Ba  Ba2  1  0.737  0.693  0.152  1.0
  Ba  Ba3  1  0.763  0.693  0.652  1.0
  Zn  Zn4  1  0.576  0.243  0.507  1.0
  Zn  Zn5  1  0.424  0.757  0.493  1.0
  Zn  Zn6  1  0.076  0.757  0.993  1.0
  Zn  Zn7  1  0.924  0.243  0.007  1.0
  Se  Se8  1  0.540  0.155  0.215  1.0
  Se  Se9  1  0.040  0.845  0.285  1.0
  Se  Se10  1  0.370  0.841  0.170  1.0
  Se  Se11  1  0.960  0.155  0.715  1.0
  Se  Se12  1  0.630  0.159  0.830  1.0
  Se  Se13  1  0.870  0.159  0.330  1.0
  Se  Se14  1  0.460  0.845  0.785  1.0
  Se  Se15  1  0.130  0.841  0.670  1.0
  O  O16  1  0.655  0.318  0.640  1.0
  O  O17  1  0.605  0.893  0.514  1.0
  O  O18  1  0.395  0.107  0.486  1.0
  O  O19  1  0.579  0.369  0.297  1.0
  O  O20  1  0.421  0.631  0.703  1.0
  O  O21  1  0.079  0.631  0.203  1.0
  O  O22  1  0.345  0.682  0.360  1.0
  O  O23  1  0.326  0.149  0.132  1.0
  O  O24  1  0.921  0.369  0.797  1.0
  O  O25  1  0.865  0.112  0.629  1.0
  O  O26  1  0.674  0.851  0.868  1.0
  O  O27  1  0.895  0.893  0.014  1.0
  O  O28  1  0.635  0.112  0.129  1.0
  O  O29  1  0.556  0.832  0.403  1.0
  O  O30  1  0.845  0.318  0.140  1.0
  O  O31  1  0.135  0.888  0.371  1.0
  O  O32  1  0.105  0.107  0.986  1.0
  O  O33  1  0.826  0.851  0.368  1.0
  O  O34  1  0.944  0.832  0.903  1.0
  O  O35  1  0.444  0.168  0.597  1.0
  O  O36  1  0.056  0.168  0.097  1.0
  O  O37  1  0.365  0.888  0.871  1.0
  O  O38  1  0.174  0.149  0.632  1.0
  O  O39  1  0.155  0.682  0.860  1.0
[/CIF]
.
The material structure described by BaZn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra and corners with three equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form ZnO4 trigonal pyramids that share corners with three equivalent Ba(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-64°. 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(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(1) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one Se(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one O(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Zn(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Se(1), and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZn(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.525
_cell_length_b   5.618
_cell_length_c   9.873
_cell_angle_alpha   70.319
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.561
_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  0.263  0.307  0.848  1.0
  Ba  Ba1  1  0.237  0.307  0.348  1.0
  Ba  Ba2  1  0.737  0.693  0.152  1.0
  Ba  Ba3  1  0.763  0.693  0.652  1.0
  Zn  Zn4  1  0.576  0.243  0.507  1.0
  Zn  Zn5  1  0.424  0.757  0.493  1.0
  Zn  Zn6  1  0.076  0.757  0.993  1.0
  Zn  Zn7  1  0.924  0.243  0.007  1.0
  Se  Se8  1  0.540  0.155  0.215  1.0
  Se  Se9  1  0.040  0.845  0.285  1.0
  Se  Se10  1  0.370  0.841  0.170  1.0
  Se  Se11  1  0.960  0.155  0.715  1.0
  Se  Se12  1  0.630  0.159  0.830  1.0
  Se  Se13  1  0.870  0.159  0.330  1.0
  Se  Se14  1  0.460  0.845  0.785  1.0
  Se  Se15  1  0.130  0.841  0.670  1.0
  O  O16  1  0.655  0.318  0.640  1.0
  O  O17  1  0.605  0.893  0.514  1.0
  O  O18  1  0.395  0.107  0.486  1.0
  O  O19  1  0.579  0.369  0.297  1.0
  O  O20  1  0.421  0.631  0.703  1.0
  O  O21  1  0.079  0.631  0.203  1.0
  O  O22  1  0.345  0.682  0.360  1.0
  O  O23  1  0.326  0.149  0.132  1.0
  O  O24  1  0.921  0.369  0.797  1.0
  O  O25  1  0.865  0.112  0.629  1.0
  O  O26  1  0.674  0.851  0.868  1.0
  O  O27  1  0.895  0.893  0.014  1.0
  O  O28  1  0.635  0.112  0.129  1.0
  O  O29  1  0.556  0.832  0.403  1.0
  O  O30  1  0.845  0.318  0.140  1.0
  O  O31  1  0.135  0.888  0.371  1.0
  O  O32  1  0.105  0.107  0.986  1.0
  O  O33  1  0.826  0.851  0.368  1.0
  O  O34  1  0.944  0.832  0.903  1.0
  O  O35  1  0.444  0.168  0.597  1.0
  O  O36  1  0.056  0.168  0.097  1.0
  O  O37  1  0.365  0.888  0.871  1.0
  O  O38  1  0.174  0.149  0.632  1.0
  O  O39  1  0.155  0.682  0.860  1.0
[/CIF]
.