The crystal structure described by LiSr4Mn2Cu3(SO)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cu(3), one S(3), one S(4), and one O(1) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one S(3), one S(4), one O(1), one O(2), one O(3), and one O(4) atom. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one S(3), one S(4), one O(1), one O(2), one O(3), and one O(4) atom. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent 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 Cu(3), two equivalent S(1), two equivalent S(2), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(2), one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnSO4 trigonal bipyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with four equivalent Mn(2)SO4 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one S(1), one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnSO4 trigonal bipyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with four equivalent Mn(1)SO4 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CuS4 tetrahedra that share  a cornercorner with one Mn(1)SO4 trigonal bipyramid and  a cornercorner with one Mn(2)SO4 trigonal bipyramid. 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 7-coordinate geometry to one Li(1), one Sr(3), one Sr(4), 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 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Mn(2), 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 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(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 3-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form face-sharing OSr4Mn2 octahedra. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4LiMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.900
_cell_length_c   9.356
_cell_angle_alpha   91.184
_cell_angle_beta   71.590
_cell_angle_gamma   93.837
_symmetry_Int_Tables_number   1
_cell_volume   308.915
_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  0.455  0.966  0.168  1.0
  Sr  Sr1  1  0.877  0.534  0.168  1.0
  Sr  Sr2  1  0.089  0.520  0.789  1.0
  Sr  Sr3  1  0.621  0.980  0.790  1.0
  Li  Li4  1  0.120  0.250  0.260  1.0
  Mn  Mn5  1  0.501  0.485  0.969  1.0
  Mn  Mn6  1  0.030  0.015  0.969  1.0
  Cu  Cu7  1  0.502  0.249  0.498  1.0
  Cu  Cu8  1  0.502  0.749  0.497  1.0
  Cu  Cu9  1  0.984  0.252  0.526  1.0
  S  S10  1  0.175  0.015  0.667  1.0
  S  S11  1  0.657  0.486  0.667  1.0
  S  S12  1  0.326  0.495  0.371  1.0
  S  S13  1  0.804  0.004  0.370  1.0
  O  O14  1  0.220  0.250  0.060  1.0
  O  O15  1  0.754  0.750  0.992  1.0
  O  O16  1  0.758  0.250  0.984  1.0
  O  O17  1  0.259  0.750  0.983  1.0
[/CIF]
.
The crystal structure described by LiSr4Mn2Cu3(SO)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cu(3), one S(3), one S(4), and one O(1) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to one S(3), one S(4), one O(1), one O(2), one O(3), and one O(4) atom. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one S(3), one S(4), one O(1), one O(2), one O(3), and one O(4) atom. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent 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 Cu(3), two equivalent S(1), two equivalent S(2), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(2), one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnSO4 trigonal bipyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with four equivalent Mn(2)SO4 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one S(1), one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnSO4 trigonal bipyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with four equivalent Mn(1)SO4 trigonal bipyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CuS4 tetrahedra that share  a cornercorner with one Mn(1)SO4 trigonal bipyramid and  a cornercorner with one Mn(2)SO4 trigonal bipyramid. 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 7-coordinate geometry to one Li(1), one Sr(3), one Sr(4), 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 8-coordinate geometry to two equivalent Sr(3), two equivalent Sr(4), one Mn(2), 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 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(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 3-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form face-sharing OSr4Mn2 octahedra. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Mn(2) atom to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4LiMn2Cu3(SO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.911
_cell_length_b   5.900
_cell_length_c   9.356
_cell_angle_alpha   91.184
_cell_angle_beta   71.590
_cell_angle_gamma   93.837
_symmetry_Int_Tables_number   1
_cell_volume   308.915
_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  0.455  0.966  0.168  1.0
  Sr  Sr1  1  0.877  0.534  0.168  1.0
  Sr  Sr2  1  0.089  0.520  0.789  1.0
  Sr  Sr3  1  0.621  0.980  0.790  1.0
  Li  Li4  1  0.120  0.250  0.260  1.0
  Mn  Mn5  1  0.501  0.485  0.969  1.0
  Mn  Mn6  1  0.030  0.015  0.969  1.0
  Cu  Cu7  1  0.502  0.249  0.498  1.0
  Cu  Cu8  1  0.502  0.749  0.497  1.0
  Cu  Cu9  1  0.984  0.252  0.526  1.0
  S  S10  1  0.175  0.015  0.667  1.0
  S  S11  1  0.657  0.486  0.667  1.0
  S  S12  1  0.326  0.495  0.371  1.0
  S  S13  1  0.804  0.004  0.370  1.0
  O  O14  1  0.220  0.250  0.060  1.0
  O  O15  1  0.754  0.750  0.992  1.0
  O  O16  1  0.758  0.250  0.984  1.0
  O  O17  1  0.259  0.750  0.983  1.0
[/CIF]
.