The material structure described by Li2MgCr3Se3(SO8)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(24), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(19), one O(21), and one O(7) atom. Mg(1) is bonded to one O(13), one O(2), one O(21), one O(24), one O(3), and one O(7) atom to form MgO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(18), one O(22), one O(23), and one O(4) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the second Cr site, Cr(2) is bonded to one O(10), one O(14), one O(17), one O(20), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(15), one O(2), and one O(6) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second Se site, Se(2) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 36-50°. In the third Se site, Se(3) is bonded to one O(13), one O(16), one O(17), and one O(22) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(20), one O(4), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-47°. In the second S site, S(2) is bonded to one O(14), one O(18), one O(21), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-47°. In the third S site, S(3) is bonded to one O(10), one O(19), one O(23), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mg(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Mg(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Cr(3), and one Se(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Cr(1), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Se(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(3), and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mg(1), and one S(2) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Mg(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MgCr3Se3(SO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.541
_cell_length_b   8.563
_cell_length_c   9.081
_cell_angle_alpha   63.612
_cell_angle_beta   62.645
_cell_angle_gamma   60.827
_symmetry_Int_Tables_number   1
_cell_volume   493.848
_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
  Li  Li0  1  0.769  0.170  0.634  1.0
  Li  Li1  1  0.422  0.761  0.624  1.0
  Mg  Mg2  1  0.167  0.153  0.541  1.0
  Cr  Cr3  1  0.845  0.849  0.452  1.0
  Cr  Cr4  1  0.645  0.654  0.069  1.0
  Cr  Cr5  1  0.352  0.352  0.932  1.0
  Se  Se6  1  0.946  0.255  0.252  1.0
  Se  Se7  1  0.758  0.459  0.752  1.0
  Se  Se8  1  0.256  0.545  0.246  1.0
  S  S9  1  0.470  0.031  0.750  1.0
  S  S10  1  0.547  0.954  0.254  1.0
  S  S11  1  0.030  0.757  0.743  1.0
  O  O12  1  0.977  0.032  0.294  1.0
  O  O13  1  0.960  0.275  0.421  1.0
  O  O14  1  0.980  0.321  0.705  1.0
  O  O15  1  0.659  0.024  0.608  1.0
  O  O16  1  0.508  0.102  0.100  1.0
  O  O17  1  0.729  0.402  0.242  1.0
  O  O18  1  0.352  0.997  0.697  1.0
  O  O19  1  0.620  0.365  0.758  1.0
  O  O20  1  0.689  0.485  0.945  1.0
  O  O21  1  0.895  0.702  0.914  1.0
  O  O22  1  0.383  0.220  0.770  1.0
  O  O23  1  0.700  0.670  0.602  1.0
  O  O24  1  0.302  0.338  0.391  1.0
  O  O25  1  0.636  0.765  0.226  1.0
  O  O26  1  0.106  0.303  0.067  1.0
  O  O27  1  0.301  0.531  0.053  1.0
  O  O28  1  0.385  0.655  0.227  1.0
  O  O29  1  0.680  0.978  0.299  1.0
  O  O30  1  0.226  0.644  0.748  1.0
  O  O31  1  0.503  0.889  0.912  1.0
  O  O32  1  0.369  0.956  0.405  1.0
  O  O33  1  0.027  0.680  0.300  1.0
  O  O34  1  0.007  0.720  0.608  1.0
  O  O35  1  0.999  0.958  0.697  1.0
[/CIF]
.
The material structure described by Li2MgCr3Se3(SO8)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(24), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(19), one O(21), and one O(7) atom. Mg(1) is bonded to one O(13), one O(2), one O(21), one O(24), one O(3), and one O(7) atom to form MgO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(18), one O(22), one O(23), and one O(4) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the second Cr site, Cr(2) is bonded to one O(10), one O(14), one O(17), one O(20), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(5), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Se(1)O4 tetrahedra,  a cornercorner with one Se(2)O4 tetrahedra,  a cornercorner with one Se(3)O4 tetrahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(15), one O(2), and one O(6) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 30-50°. In the second Se site, Se(2) is bonded to one O(12), one O(3), one O(8), and one O(9) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 36-50°. In the third Se site, Se(3) is bonded to one O(13), one O(16), one O(17), and one O(22) atom to form SeO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(20), one O(4), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 22-47°. In the second S site, S(2) is bonded to one O(14), one O(18), one O(21), and one O(5) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-47°. In the third S site, S(3) is bonded to one O(10), one O(19), one O(23), and one O(24) atom to form SO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mg(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Mg(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Cr(3), and one Se(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Cr(1), and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Se(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(3), and one S(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mg(1), and one S(2) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Mg(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MgCr3Se3(SO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.541
_cell_length_b   8.563
_cell_length_c   9.081
_cell_angle_alpha   63.612
_cell_angle_beta   62.645
_cell_angle_gamma   60.827
_symmetry_Int_Tables_number   1
_cell_volume   493.848
_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
  Li  Li0  1  0.769  0.170  0.634  1.0
  Li  Li1  1  0.422  0.761  0.624  1.0
  Mg  Mg2  1  0.167  0.153  0.541  1.0
  Cr  Cr3  1  0.845  0.849  0.452  1.0
  Cr  Cr4  1  0.645  0.654  0.069  1.0
  Cr  Cr5  1  0.352  0.352  0.932  1.0
  Se  Se6  1  0.946  0.255  0.252  1.0
  Se  Se7  1  0.758  0.459  0.752  1.0
  Se  Se8  1  0.256  0.545  0.246  1.0
  S  S9  1  0.470  0.031  0.750  1.0
  S  S10  1  0.547  0.954  0.254  1.0
  S  S11  1  0.030  0.757  0.743  1.0
  O  O12  1  0.977  0.032  0.294  1.0
  O  O13  1  0.960  0.275  0.421  1.0
  O  O14  1  0.980  0.321  0.705  1.0
  O  O15  1  0.659  0.024  0.608  1.0
  O  O16  1  0.508  0.102  0.100  1.0
  O  O17  1  0.729  0.402  0.242  1.0
  O  O18  1  0.352  0.997  0.697  1.0
  O  O19  1  0.620  0.365  0.758  1.0
  O  O20  1  0.689  0.485  0.945  1.0
  O  O21  1  0.895  0.702  0.914  1.0
  O  O22  1  0.383  0.220  0.770  1.0
  O  O23  1  0.700  0.670  0.602  1.0
  O  O24  1  0.302  0.338  0.391  1.0
  O  O25  1  0.636  0.765  0.226  1.0
  O  O26  1  0.106  0.303  0.067  1.0
  O  O27  1  0.301  0.531  0.053  1.0
  O  O28  1  0.385  0.655  0.227  1.0
  O  O29  1  0.680  0.978  0.299  1.0
  O  O30  1  0.226  0.644  0.748  1.0
  O  O31  1  0.503  0.889  0.912  1.0
  O  O32  1  0.369  0.956  0.405  1.0
  O  O33  1  0.027  0.680  0.300  1.0
  O  O34  1  0.007  0.720  0.608  1.0
  O  O35  1  0.999  0.958  0.697  1.0
[/CIF]
.