The structure described by SrCu(SeO3)4 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(1) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Se(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing SeO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sr(1) and one Se(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Sr(1) and two equivalent Se(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Se(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Cu(1) and two equivalent Se(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Se(1) atoms. is represented by the CIF card [CIF]
data_SrCu(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.120
_symmetry_Int_Tables_number   1
_cell_volume   240.470
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.049  0.951  0.500  1.0
  Cu  Cu1  1  0.505  0.495  0.000  1.0
  Se  Se2  1  0.538  0.974  0.242  1.0
  Se  Se3  1  0.538  0.974  0.758  1.0
  Se  Se4  1  0.026  0.462  0.758  1.0
  Se  Se5  1  0.026  0.462  0.242  1.0
  O  O6  1  0.157  0.223  0.242  1.0
  O  O7  1  0.777  0.843  0.242  1.0
  O  O8  1  0.777  0.843  0.758  1.0
  O  O9  1  0.157  0.223  0.758  1.0
  O  O10  1  0.294  0.706  0.300  1.0
  O  O11  1  0.672  0.328  0.172  1.0
  O  O12  1  0.672  0.328  0.828  1.0
  O  O13  1  0.294  0.706  0.700  1.0
  O  O14  1  0.451  0.894  0.000  1.0
  O  O15  1  0.517  0.052  0.500  1.0
  O  O16  1  0.106  0.549  0.000  1.0
  O  O17  1  0.948  0.483  0.500  1.0
[/CIF]
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The structure described by SrCu(SeO3)4 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(1) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Se(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing SeO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Sr(1) and one Se(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Sr(1) and two equivalent Se(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Se(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Cu(1) and two equivalent Se(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Se(1) atoms. is represented by the CIF card [CIF]
data_SrCu(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   7.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.120
_symmetry_Int_Tables_number   1
_cell_volume   240.470
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.049  0.951  0.500  1.0
  Cu  Cu1  1  0.505  0.495  0.000  1.0
  Se  Se2  1  0.538  0.974  0.242  1.0
  Se  Se3  1  0.538  0.974  0.758  1.0
  Se  Se4  1  0.026  0.462  0.758  1.0
  Se  Se5  1  0.026  0.462  0.242  1.0
  O  O6  1  0.157  0.223  0.242  1.0
  O  O7  1  0.777  0.843  0.242  1.0
  O  O8  1  0.777  0.843  0.758  1.0
  O  O9  1  0.157  0.223  0.758  1.0
  O  O10  1  0.294  0.706  0.300  1.0
  O  O11  1  0.672  0.328  0.172  1.0
  O  O12  1  0.672  0.328  0.828  1.0
  O  O13  1  0.294  0.706  0.700  1.0
  O  O14  1  0.451  0.894  0.000  1.0
  O  O15  1  0.517  0.052  0.500  1.0
  O  O16  1  0.106  0.549  0.000  1.0
  O  O17  1  0.948  0.483  0.500  1.0
[/CIF]
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