The crystal structure described by Sr8Mn6Cu4Se4O15 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 4-coordinate geometry to four equivalent Se(1); one O(2); one O(3); and two equivalent O(4,5) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(2); one O(3); one O(6); two equivalent O(4,5); two equivalent O(7,8); and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(2); one O(3); and two equivalent O(4,5) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(6); two equivalent O(1); and two equivalent O(7,8) atoms to form corner-sharing MnO5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4,5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fifth O site, O(6) is bonded to four equivalent Sr(2) and two equivalent Mn(2) atoms to form a mixture of distorted face and edge-sharing OSr4Mn2 octahedra. In the sixth O site, O(7,8) is bonded to four equivalent Sr(2) and two equivalent Mn(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8Mn6Cu4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.961
_cell_length_b   17.961
_cell_length_c   5.627
_cell_angle_alpha   89.917
_cell_angle_beta   89.917
_cell_angle_gamma   161.975
_symmetry_Int_Tables_number   1
_cell_volume   561.655
_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  0.414  0.093  0.253  1.0
  Sr  Sr1  1  0.907  0.586  0.747  1.0
  Sr  Sr2  1  0.586  0.907  0.747  1.0
  Sr  Sr3  1  0.093  0.414  0.253  1.0
  Sr  Sr4  1  0.313  0.202  0.257  1.0
  Sr  Sr5  1  0.798  0.687  0.743  1.0
  Sr  Sr6  1  0.687  0.798  0.743  1.0
  Sr  Sr7  1  0.202  0.313  0.257  1.0
  Mn  Mn8  1  0.355  0.135  0.755  1.0
  Mn  Mn9  1  0.865  0.645  0.245  1.0
  Mn  Mn10  1  0.645  0.865  0.245  1.0
  Mn  Mn11  1  0.135  0.355  0.755  1.0
  Mn  Mn12  1  0.744  0.744  0.256  1.0
  Mn  Mn13  1  0.256  0.256  0.744  1.0
  Cu  Cu14  1  0.750  0.250  0.500  1.0
  Cu  Cu15  1  0.250  0.750  0.000  1.0
  Cu  Cu16  1  0.250  0.750  0.500  1.0
  Cu  Cu17  1  0.750  0.250  0.000  1.0
  Se  Se18  1  0.458  0.043  0.750  1.0
  Se  Se19  1  0.957  0.542  0.250  1.0
  Se  Se20  1  0.542  0.957  0.250  1.0
  Se  Se21  1  0.043  0.458  0.750  1.0
  O  O22  1  0.264  0.158  0.789  1.0
  O  O23  1  0.842  0.736  0.211  1.0
  O  O24  1  0.736  0.842  0.211  1.0
  O  O25  1  0.158  0.264  0.789  1.0
  O  O26  1  0.612  0.388  0.500  1.0
  O  O27  1  0.122  0.878  0.000  1.0
  O  O28  1  0.118  0.882  0.500  1.0
  O  O29  1  0.618  0.382  0.000  1.0
  O  O30  1  0.388  0.612  0.500  1.0
  O  O31  1  0.878  0.122  0.000  1.0
  O  O32  1  0.882  0.118  0.500  1.0
  O  O33  1  0.382  0.618  0.000  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.500  0.500  0.000  1.0
  O  O36  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Sr8Mn6Cu4Se4O15 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 4-coordinate geometry to four equivalent Se(1); one O(2); one O(3); and two equivalent O(4,5) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(2); one O(3); one O(6); two equivalent O(4,5); two equivalent O(7,8); and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1); one O(2); one O(3); and two equivalent O(4,5) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(6); two equivalent O(1); and two equivalent O(7,8) atoms to form corner-sharing MnO5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4,5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fifth O site, O(6) is bonded to four equivalent Sr(2) and two equivalent Mn(2) atoms to form a mixture of distorted face and edge-sharing OSr4Mn2 octahedra. In the sixth O site, O(7,8) is bonded to four equivalent Sr(2) and two equivalent Mn(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8Mn6Cu4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.961
_cell_length_b   17.961
_cell_length_c   5.627
_cell_angle_alpha   89.917
_cell_angle_beta   89.917
_cell_angle_gamma   161.975
_symmetry_Int_Tables_number   1
_cell_volume   561.655
_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  0.414  0.093  0.253  1.0
  Sr  Sr1  1  0.907  0.586  0.747  1.0
  Sr  Sr2  1  0.586  0.907  0.747  1.0
  Sr  Sr3  1  0.093  0.414  0.253  1.0
  Sr  Sr4  1  0.313  0.202  0.257  1.0
  Sr  Sr5  1  0.798  0.687  0.743  1.0
  Sr  Sr6  1  0.687  0.798  0.743  1.0
  Sr  Sr7  1  0.202  0.313  0.257  1.0
  Mn  Mn8  1  0.355  0.135  0.755  1.0
  Mn  Mn9  1  0.865  0.645  0.245  1.0
  Mn  Mn10  1  0.645  0.865  0.245  1.0
  Mn  Mn11  1  0.135  0.355  0.755  1.0
  Mn  Mn12  1  0.744  0.744  0.256  1.0
  Mn  Mn13  1  0.256  0.256  0.744  1.0
  Cu  Cu14  1  0.750  0.250  0.500  1.0
  Cu  Cu15  1  0.250  0.750  0.000  1.0
  Cu  Cu16  1  0.250  0.750  0.500  1.0
  Cu  Cu17  1  0.750  0.250  0.000  1.0
  Se  Se18  1  0.458  0.043  0.750  1.0
  Se  Se19  1  0.957  0.542  0.250  1.0
  Se  Se20  1  0.542  0.957  0.250  1.0
  Se  Se21  1  0.043  0.458  0.750  1.0
  O  O22  1  0.264  0.158  0.789  1.0
  O  O23  1  0.842  0.736  0.211  1.0
  O  O24  1  0.736  0.842  0.211  1.0
  O  O25  1  0.158  0.264  0.789  1.0
  O  O26  1  0.612  0.388  0.500  1.0
  O  O27  1  0.122  0.878  0.000  1.0
  O  O28  1  0.118  0.882  0.500  1.0
  O  O29  1  0.618  0.382  0.000  1.0
  O  O30  1  0.388  0.612  0.500  1.0
  O  O31  1  0.878  0.122  0.000  1.0
  O  O32  1  0.882  0.118  0.500  1.0
  O  O33  1  0.382  0.618  0.000  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.500  0.500  0.000  1.0
  O  O36  1  0.000  0.000  0.500  1.0
[/CIF]
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