The material described by Sr2CoO4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Co(1) atom to form distorted OSr5Co octahedra that share corners with five equivalent O(1)Sr5Co octahedra, corners with six equivalent O(2)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with eight equivalent O(1)Sr5Co octahedra, faces with two equivalent O(2)Sr4Co2 octahedra, and faces with two equivalent O(3)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with twelve equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with four equivalent O(3)Sr4Co2 octahedra, and faces with four equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(3)Sr4Co2 octahedra, corners with twelve equivalent O(1)Sr5Co octahedra, edges with two equivalent O(3)Sr4Co2 octahedra, faces with four equivalent O(2)Sr4Co2 octahedra, and faces with four equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.920
_cell_length_c   6.830
_cell_angle_alpha   106.675
_cell_angle_beta   106.082
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.912
_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  0.643  0.643  0.285  1.0
  Sr  Sr1  1  0.357  0.357  0.715  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.843  0.843  0.686  1.0
  O  O4  1  0.157  0.157  0.314  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Sr2CoO4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), and five equivalent O(1) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Co(1) atom to form distorted OSr5Co octahedra that share corners with five equivalent O(1)Sr5Co octahedra, corners with six equivalent O(2)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with eight equivalent O(1)Sr5Co octahedra, faces with two equivalent O(2)Sr4Co2 octahedra, and faces with two equivalent O(3)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form OSr4Co2 octahedra that share corners with two equivalent O(2)Sr4Co2 octahedra, corners with twelve equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr4Co2 octahedra, faces with four equivalent O(3)Sr4Co2 octahedra, and faces with four equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(3)Sr4Co2 octahedra, corners with twelve equivalent O(1)Sr5Co octahedra, edges with two equivalent O(3)Sr4Co2 octahedra, faces with four equivalent O(2)Sr4Co2 octahedra, and faces with four equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.920
_cell_length_c   6.830
_cell_angle_alpha   106.675
_cell_angle_beta   106.082
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   92.912
_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  0.643  0.643  0.285  1.0
  Sr  Sr1  1  0.357  0.357  0.715  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.843  0.843  0.686  1.0
  O  O4  1  0.157  0.157  0.314  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
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