The material structure described by Sr2CoWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), and six equivalent O(3) atoms. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(2), three equivalent Sr(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one W(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   5.672
_cell_length_c   5.681
_cell_angle_alpha   119.377
_cell_angle_beta   90.586
_cell_angle_gamma   119.890
_symmetry_Int_Tables_number   1
_cell_volume   129.986
_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
  Co  Co0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.759  0.439  0.198  1.0
  O  O2  1  0.241  0.561  0.802  1.0
  O  O3  1  0.209  0.980  0.706  1.0
  O  O4  1  0.791  0.020  0.294  1.0
  O  O5  1  0.274  0.503  0.294  1.0
  O  O6  1  0.726  0.497  0.706  1.0
  Sr  Sr7  1  0.250  0.005  0.254  1.0
  Sr  Sr8  1  0.750  0.995  0.746  1.0
  W  W9  1  1.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Sr2CoWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), and six equivalent O(3) atoms. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(2), three equivalent Sr(1), one W(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one W(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   5.672
_cell_length_c   5.681
_cell_angle_alpha   119.377
_cell_angle_beta   90.586
_cell_angle_gamma   119.890
_symmetry_Int_Tables_number   1
_cell_volume   129.986
_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
  Co  Co0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.759  0.439  0.198  1.0
  O  O2  1  0.241  0.561  0.802  1.0
  O  O3  1  0.209  0.980  0.706  1.0
  O  O4  1  0.791  0.020  0.294  1.0
  O  O5  1  0.274  0.503  0.294  1.0
  O  O6  1  0.726  0.497  0.706  1.0
  Sr  Sr7  1  0.250  0.005  0.254  1.0
  Sr  Sr8  1  0.750  0.995  0.746  1.0
  W  W9  1  1.000  0.500  0.500  1.0
[/CIF]
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