The crystal structure described by LiSr4Mn2Cu3(SO)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one S(1), one O(1), and one O(3) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(4), one O(1), one O(2), and one O(4) atom. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one S(4), two equivalent S(3), one O(1), one O(3), and one O(4) atom. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), one O(2), one O(3), and one O(4) atom. In the fourth Sr site, Sr(4) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(2), one O(1), one O(2), and one O(3) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(3), one O(1), one O(2), one O(3), and one O(4) atom. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one S(4), one O(1), one O(2), and one O(4) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), one Sr(1), one Sr(3), one Sr(4), one Cu(1), one Cu(2), and one Cu(3) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mn(2), one Cu(1), one Cu(2), and one Cu(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OSr3Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Sr(2), one Sr(3), one Sr(4), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr3LiMn trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr4LiMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   6.228
_cell_length_c   9.048
_cell_angle_alpha   94.172
_cell_angle_beta   69.840
_cell_angle_gamma   93.466
_symmetry_Int_Tables_number   1
_cell_volume   307.721
_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  0.374  0.962  0.226  1.0
  Sr  Sr1  1  0.915  0.444  0.186  1.0
  Sr  Sr2  1  0.069  0.608  0.778  1.0
  Sr  Sr3  1  0.626  0.021  0.808  1.0
  Li  Li4  1  0.125  0.206  0.857  1.0
  Mn  Mn5  1  0.502  0.494  0.996  1.0
  Mn  Mn6  1  0.983  0.943  0.068  1.0
  Cu  Cu7  1  0.476  0.281  0.519  1.0
  Cu  Cu8  1  0.546  0.720  0.479  1.0
  Cu  Cu9  1  0.983  0.277  0.498  1.0
  S  S10  1  0.184  0.017  0.616  1.0
  S  S11  1  0.656  0.516  0.654  1.0
  S  S12  1  0.342  0.480  0.338  1.0
  S  S13  1  0.803  0.006  0.358  1.0
  O  O14  1  0.261  0.183  0.015  1.0
  O  O15  1  0.721  0.802  0.993  1.0
  O  O16  1  0.816  0.317  0.947  1.0
  O  O17  1  0.212  0.692  0.016  1.0
[/CIF]
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The crystal structure described by LiSr4Mn2Cu3(SO)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one S(1), one O(1), and one O(3) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(4), one O(1), one O(2), and one O(4) atom. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one S(4), two equivalent S(3), one O(1), one O(3), and one O(4) atom. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), one O(2), one O(3), and one O(4) atom. In the fourth Sr site, Sr(4) is bonded in a 3-coordinate geometry to one S(1), two equivalent S(2), one O(1), one O(2), and one O(3) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one S(2), one S(3), one O(1), one O(2), one O(3), and one O(4) atom. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one S(4), one O(1), one O(2), and one O(4) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), one Sr(1), one Sr(3), one Sr(4), one Cu(1), one Cu(2), and one Cu(3) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mn(2), one Cu(1), one Cu(2), and one Cu(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Sr(4), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing OSr3Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Sr(2), one Sr(3), one Sr(4), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr3LiMn trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr4LiMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   6.228
_cell_length_c   9.048
_cell_angle_alpha   94.172
_cell_angle_beta   69.840
_cell_angle_gamma   93.466
_symmetry_Int_Tables_number   1
_cell_volume   307.721
_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  0.374  0.962  0.226  1.0
  Sr  Sr1  1  0.915  0.444  0.186  1.0
  Sr  Sr2  1  0.069  0.608  0.778  1.0
  Sr  Sr3  1  0.626  0.021  0.808  1.0
  Li  Li4  1  0.125  0.206  0.857  1.0
  Mn  Mn5  1  0.502  0.494  0.996  1.0
  Mn  Mn6  1  0.983  0.943  0.068  1.0
  Cu  Cu7  1  0.476  0.281  0.519  1.0
  Cu  Cu8  1  0.546  0.720  0.479  1.0
  Cu  Cu9  1  0.983  0.277  0.498  1.0
  S  S10  1  0.184  0.017  0.616  1.0
  S  S11  1  0.656  0.516  0.654  1.0
  S  S12  1  0.342  0.480  0.338  1.0
  S  S13  1  0.803  0.006  0.358  1.0
  O  O14  1  0.261  0.183  0.015  1.0
  O  O15  1  0.721  0.802  0.993  1.0
  O  O16  1  0.816  0.317  0.947  1.0
  O  O17  1  0.212  0.692  0.016  1.0
[/CIF]
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