The material described by Sr2CoO4 is (La,Ba)CuO4 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 9-coordinate geometry to one O(4), one O(5), two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Co(1) atom to form OSr5Co octahedra that share  a cornercorner with one O(4)Sr4Co2 octahedra,  a cornercorner with one O(1)Sr5Co octahedra, corners with four equivalent O(2)Sr5Co octahedra, corners with five equivalent O(5)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(3)Sr4Co2 octahedra, and faces with two equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Co(2) atom to form OSr5Co octahedra that share  a cornercorner with one O(5)Sr4Co2 octahedra,  a cornercorner with one O(2)Sr5Co octahedra, corners with four equivalent O(1)Sr5Co octahedra, corners with five equivalent O(4)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(3)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(3)Sr4Co2 octahedra, corners with six equivalent O(1)Sr5Co octahedra, corners with six equivalent O(2)Sr5Co octahedra, edges with two equivalent O(3)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with two equivalent O(2)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with ten equivalent O(2)Sr5Co octahedra, edges with two equivalent O(5)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 0-56°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Co octahedra, corners with ten equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with four equivalent O(3)Sr4Co2 octahedra, and faces with four equivalent O(2)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF file [CIF]
data_Sr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   3.783
_cell_length_c   6.800
_cell_angle_alpha   106.150
_cell_angle_beta   106.058
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   89.192
_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  0.000  1.000  1.000  1.0
  O  O1  1  0.157  0.156  0.313  1.0
  O  O2  1  0.843  0.844  0.687  1.0
  O  O3  1  1.000  0.500  1.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.357  0.356  0.713  1.0
  Sr  Sr6  1  0.643  0.644  0.287  1.0
[/CIF]
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The material described by Sr2CoO4 is (La,Ba)CuO4 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 9-coordinate geometry to one O(4), one O(5), two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Co(1) atom to form OSr5Co octahedra that share  a cornercorner with one O(4)Sr4Co2 octahedra,  a cornercorner with one O(1)Sr5Co octahedra, corners with four equivalent O(2)Sr5Co octahedra, corners with five equivalent O(5)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(3)Sr4Co2 octahedra, and faces with two equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the second O site, O(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Co(2) atom to form OSr5Co octahedra that share  a cornercorner with one O(5)Sr4Co2 octahedra,  a cornercorner with one O(2)Sr5Co octahedra, corners with four equivalent O(1)Sr5Co octahedra, corners with five equivalent O(4)Sr4Co2 octahedra, corners with six equivalent O(3)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(3)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(3)Sr4Co2 octahedra, corners with six equivalent O(1)Sr5Co octahedra, corners with six equivalent O(2)Sr5Co octahedra, edges with two equivalent O(3)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with two equivalent O(2)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with ten equivalent O(2)Sr5Co octahedra, edges with two equivalent O(5)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 0-56°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Co octahedra, corners with ten equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with four equivalent O(3)Sr4Co2 octahedra, and faces with four equivalent O(2)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-56°. is represented by the CIF file [CIF]
data_Sr2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   3.783
_cell_length_c   6.800
_cell_angle_alpha   106.150
_cell_angle_beta   106.058
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   89.192
_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  0.000  1.000  1.000  1.0
  O  O1  1  0.157  0.156  0.313  1.0
  O  O2  1  0.843  0.844  0.687  1.0
  O  O3  1  1.000  0.500  1.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.357  0.356  0.713  1.0
  Sr  Sr6  1  0.643  0.644  0.287  1.0
[/CIF]
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