The compound described by Sr4Mn2CoO9 crystallizes in the trigonal P321 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form face-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing MnO6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one Mn(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr4Mn2CoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.697
_cell_length_b   9.697
_cell_length_c   7.887
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   642.303
_cell_formula_units_Z   3
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  0.333  0.310  0.750  1.0
  Sr  Sr1  1  0.667  0.976  0.250  1.0
  Sr  Sr2  1  0.000  0.358  0.500  1.0
  Sr  Sr3  1  0.642  0.642  0.500  1.0
  Sr  Sr4  1  0.310  0.333  0.250  1.0
  Sr  Sr5  1  0.000  0.328  0.000  1.0
  Sr  Sr6  1  0.672  0.672  0.000  1.0
  Sr  Sr7  1  0.976  0.667  0.750  1.0
  Sr  Sr8  1  0.358  0.000  0.500  1.0
  Sr  Sr9  1  0.024  0.690  0.250  1.0
  Sr  Sr10  1  0.328  0.000  0.000  1.0
  Sr  Sr11  1  0.690  0.024  0.750  1.0
  Mn  Mn12  1  0.000  0.000  0.835  1.0
  Mn  Mn13  1  0.667  0.333  0.928  1.0
  Mn  Mn14  1  0.333  0.667  0.072  1.0
  Mn  Mn15  1  0.333  0.667  0.405  1.0
  Mn  Mn16  1  0.000  0.000  0.165  1.0
  Mn  Mn17  1  0.667  0.333  0.595  1.0
  Co  Co18  1  0.667  0.333  0.259  1.0
  Co  Co19  1  0.000  0.000  0.500  1.0
  Co  Co20  1  0.333  0.667  0.741  1.0
  O  O21  1  0.682  0.182  0.456  1.0
  O  O22  1  0.835  0.843  0.698  1.0
  O  O23  1  0.349  0.830  0.240  1.0
  O  O24  1  0.318  0.499  0.544  1.0
  O  O25  1  0.499  0.318  0.456  1.0
  O  O26  1  0.000  0.848  0.000  1.0
  O  O27  1  0.170  0.519  0.240  1.0
  O  O28  1  0.183  0.679  0.934  1.0
  O  O29  1  0.679  0.183  0.066  1.0
  O  O30  1  0.830  0.349  0.760  1.0
  O  O31  1  0.321  0.504  0.934  1.0
  O  O32  1  0.165  0.008  0.302  1.0
  O  O33  1  0.182  0.682  0.544  1.0
  O  O34  1  0.818  0.501  0.456  1.0
  O  O35  1  0.848  0.000  0.000  1.0
  O  O36  1  0.152  0.152  0.000  1.0
  O  O37  1  0.651  0.481  0.760  1.0
  O  O38  1  0.496  0.817  0.934  1.0
  O  O39  1  0.992  0.157  0.302  1.0
  O  O40  1  0.008  0.165  0.698  1.0
  O  O41  1  0.504  0.321  0.066  1.0
  O  O42  1  0.481  0.651  0.240  1.0
  O  O43  1  0.501  0.818  0.544  1.0
  O  O44  1  0.843  0.835  0.302  1.0
  O  O45  1  0.157  0.992  0.698  1.0
  O  O46  1  0.519  0.170  0.760  1.0
  O  O47  1  0.817  0.496  0.066  1.0
[/CIF]
.
The compound described by Sr4Mn2CoO9 crystallizes in the trigonal P321 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third Sr site, Sr(3) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form face-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form face-sharing MnO6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(1), and one Co(2) atom. In the third O site, O(3) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(3), one Mn(2), and one Co(1) atom. is represented by the CIF file [CIF]
data_Sr4Mn2CoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.697
_cell_length_b   9.697
_cell_length_c   7.887
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   642.303
_cell_formula_units_Z   3
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  0.333  0.310  0.750  1.0
  Sr  Sr1  1  0.667  0.976  0.250  1.0
  Sr  Sr2  1  0.000  0.358  0.500  1.0
  Sr  Sr3  1  0.642  0.642  0.500  1.0
  Sr  Sr4  1  0.310  0.333  0.250  1.0
  Sr  Sr5  1  0.000  0.328  0.000  1.0
  Sr  Sr6  1  0.672  0.672  0.000  1.0
  Sr  Sr7  1  0.976  0.667  0.750  1.0
  Sr  Sr8  1  0.358  0.000  0.500  1.0
  Sr  Sr9  1  0.024  0.690  0.250  1.0
  Sr  Sr10  1  0.328  0.000  0.000  1.0
  Sr  Sr11  1  0.690  0.024  0.750  1.0
  Mn  Mn12  1  0.000  0.000  0.835  1.0
  Mn  Mn13  1  0.667  0.333  0.928  1.0
  Mn  Mn14  1  0.333  0.667  0.072  1.0
  Mn  Mn15  1  0.333  0.667  0.405  1.0
  Mn  Mn16  1  0.000  0.000  0.165  1.0
  Mn  Mn17  1  0.667  0.333  0.595  1.0
  Co  Co18  1  0.667  0.333  0.259  1.0
  Co  Co19  1  0.000  0.000  0.500  1.0
  Co  Co20  1  0.333  0.667  0.741  1.0
  O  O21  1  0.682  0.182  0.456  1.0
  O  O22  1  0.835  0.843  0.698  1.0
  O  O23  1  0.349  0.830  0.240  1.0
  O  O24  1  0.318  0.499  0.544  1.0
  O  O25  1  0.499  0.318  0.456  1.0
  O  O26  1  0.000  0.848  0.000  1.0
  O  O27  1  0.170  0.519  0.240  1.0
  O  O28  1  0.183  0.679  0.934  1.0
  O  O29  1  0.679  0.183  0.066  1.0
  O  O30  1  0.830  0.349  0.760  1.0
  O  O31  1  0.321  0.504  0.934  1.0
  O  O32  1  0.165  0.008  0.302  1.0
  O  O33  1  0.182  0.682  0.544  1.0
  O  O34  1  0.818  0.501  0.456  1.0
  O  O35  1  0.848  0.000  0.000  1.0
  O  O36  1  0.152  0.152  0.000  1.0
  O  O37  1  0.651  0.481  0.760  1.0
  O  O38  1  0.496  0.817  0.934  1.0
  O  O39  1  0.992  0.157  0.302  1.0
  O  O40  1  0.008  0.165  0.698  1.0
  O  O41  1  0.504  0.321  0.066  1.0
  O  O42  1  0.481  0.651  0.240  1.0
  O  O43  1  0.501  0.818  0.544  1.0
  O  O44  1  0.843  0.835  0.302  1.0
  O  O45  1  0.157  0.992  0.698  1.0
  O  O46  1  0.519  0.170  0.760  1.0
  O  O47  1  0.817  0.496  0.066  1.0
[/CIF]
.