The compound described by Zn3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Zn site, Zn(3) is bonded to one O(10), one O(4), one O(5), one O(9), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(7), one O(8), and one O(9) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 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. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(2), one Zn(3), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(4) and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Zn(2), one Zn(4), and one Se(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Zn(3), one Zn(4), and one Se(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Zn(3) atom. is represented by the CIF file [CIF]
data_Zn3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.201
_cell_length_b   8.337
_cell_length_c   8.807
_cell_angle_alpha   64.466
_cell_angle_beta   68.498
_cell_angle_gamma   68.829
_symmetry_Int_Tables_number   1
_cell_volume   490.484
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.036  0.660  0.798  1.0
  Zn  Zn3  1  0.964  0.340  0.202  1.0
  Zn  Zn4  1  0.180  0.292  0.572  1.0
  Zn  Zn5  1  0.820  0.708  0.428  1.0
  Se  Se6  1  0.342  0.213  0.905  1.0
  Se  Se7  1  0.658  0.787  0.095  1.0
  Se  Se8  1  0.329  0.844  0.681  1.0
  Se  Se9  1  0.671  0.156  0.319  1.0
  Se  Se10  1  0.797  0.425  0.788  1.0
  Se  Se11  1  0.203  0.575  0.212  1.0
  O  O12  1  0.364  0.301  0.680  1.0
  O  O13  1  0.636  0.699  0.320  1.0
  O  O14  1  0.256  0.034  0.960  1.0
  O  O15  1  0.744  0.966  0.040  1.0
  O  O16  1  0.161  0.386  0.967  1.0
  O  O17  1  0.839  0.614  0.033  1.0
  O  O18  1  0.293  0.692  0.617  1.0
  O  O19  1  0.707  0.308  0.383  1.0
  O  O20  1  0.137  0.825  0.856  1.0
  O  O21  1  0.863  0.175  0.144  1.0
  O  O22  1  0.270  0.054  0.526  1.0
  O  O23  1  0.730  0.946  0.474  1.0
  O  O24  1  0.957  0.229  0.761  1.0
  O  O25  1  0.043  0.771  0.239  1.0
  O  O26  1  0.689  0.509  0.624  1.0
  O  O27  1  0.311  0.491  0.376  1.0
  O  O28  1  0.941  0.572  0.670  1.0
  O  O29  1  0.059  0.428  0.330  1.0
  O  O30  1  0.839  0.906  0.715  1.0
  O  O31  1  0.161  0.094  0.285  1.0
[/CIF]
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The compound described by Zn3Se3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third Zn site, Zn(3) is bonded to one O(10), one O(4), one O(5), one O(9), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), one O(7), one O(8), and one O(9) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 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. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(2), one Zn(3), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(4) and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Zn(2), one Zn(4), and one Se(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Zn(3), one Zn(4), and one Se(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Zn(3) atom. is represented by the CIF file [CIF]
data_Zn3Se3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.201
_cell_length_b   8.337
_cell_length_c   8.807
_cell_angle_alpha   64.466
_cell_angle_beta   68.498
_cell_angle_gamma   68.829
_symmetry_Int_Tables_number   1
_cell_volume   490.484
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.036  0.660  0.798  1.0
  Zn  Zn3  1  0.964  0.340  0.202  1.0
  Zn  Zn4  1  0.180  0.292  0.572  1.0
  Zn  Zn5  1  0.820  0.708  0.428  1.0
  Se  Se6  1  0.342  0.213  0.905  1.0
  Se  Se7  1  0.658  0.787  0.095  1.0
  Se  Se8  1  0.329  0.844  0.681  1.0
  Se  Se9  1  0.671  0.156  0.319  1.0
  Se  Se10  1  0.797  0.425  0.788  1.0
  Se  Se11  1  0.203  0.575  0.212  1.0
  O  O12  1  0.364  0.301  0.680  1.0
  O  O13  1  0.636  0.699  0.320  1.0
  O  O14  1  0.256  0.034  0.960  1.0
  O  O15  1  0.744  0.966  0.040  1.0
  O  O16  1  0.161  0.386  0.967  1.0
  O  O17  1  0.839  0.614  0.033  1.0
  O  O18  1  0.293  0.692  0.617  1.0
  O  O19  1  0.707  0.308  0.383  1.0
  O  O20  1  0.137  0.825  0.856  1.0
  O  O21  1  0.863  0.175  0.144  1.0
  O  O22  1  0.270  0.054  0.526  1.0
  O  O23  1  0.730  0.946  0.474  1.0
  O  O24  1  0.957  0.229  0.761  1.0
  O  O25  1  0.043  0.771  0.239  1.0
  O  O26  1  0.689  0.509  0.624  1.0
  O  O27  1  0.311  0.491  0.376  1.0
  O  O28  1  0.941  0.572  0.670  1.0
  O  O29  1  0.059  0.428  0.330  1.0
  O  O30  1  0.839  0.906  0.715  1.0
  O  O31  1  0.161  0.094  0.285  1.0
[/CIF]
.