The crystal structure described by LiMgCr3Se2(SO6)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(15), one O(19), one O(21), and one O(3) 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-70°. Mg(1) is bonded to one O(12), one O(16), one O(20), one O(21), one O(3), and one O(6) 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)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(14), one O(15), one O(2), one O(7), 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)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(11), one O(17), one O(18), one O(23), and one O(24) 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 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 S(4)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(13), one O(19), one O(22), one O(4), one O(5), 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(11), one O(6), one O(7), 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, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the second Se site, Se(2) is bonded to one O(1), one O(10), one O(12), and one O(5) 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 36-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(23), one O(3), one O(4), and one O(8) 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 27-44°. In the second S site, S(2) is bonded to one O(13), one O(15), one O(20), 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 29-45°. In the third S site, S(3) is bonded to one O(14), one O(16), one O(18), and one O(19) 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 27-45°. In the fourth S site, S(4) is bonded to one O(17), one O(2), one O(21), and one O(22) 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 22-43°. 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one Se(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(4) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), 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 Mg(1) and one S(2) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(1), one Mg(1), and one S(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(4) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMgCr3Se2(SO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.422
_cell_length_b   8.431
_cell_length_c   8.952
_cell_angle_alpha   62.571
_cell_angle_beta   62.504
_cell_angle_gamma   60.511
_symmetry_Int_Tables_number   1
_cell_volume   467.855
_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  0.577  0.238  0.372  1.0
  Mg  Mg1  1  0.857  0.846  0.438  1.0
  Cr  Cr2  1  0.643  0.649  0.068  1.0
  Cr  Cr3  1  0.355  0.349  0.935  1.0
  Cr  Cr4  1  0.154  0.152  0.545  1.0
  Se  Se5  1  0.747  0.462  0.746  1.0
  Se  Se6  1  0.046  0.746  0.747  1.0
  S  S7  1  0.529  0.964  0.252  1.0
  S  S8  1  0.961  0.255  0.252  1.0
  S  S9  1  0.257  0.535  0.246  1.0
  S  S10  1  0.459  0.042  0.749  1.0
  O  O11  1  0.886  0.697  0.946  1.0
  O  O12  1  0.495  0.889  0.913  1.0
  O  O13  1  0.658  0.998  0.296  1.0
  O  O14  1  0.342  0.978  0.396  1.0
  O  O15  1  0.009  0.975  0.706  1.0
  O  O16  1  0.702  0.670  0.593  1.0
  O  O17  1  0.695  0.477  0.945  1.0
  O  O18  1  0.614  0.770  0.236  1.0
  O  O19  1  0.977  0.317  0.703  1.0
  O  O20  1  0.264  0.607  0.767  1.0
  O  O21  1  0.614  0.351  0.769  1.0
  O  O22  1  0.026  0.705  0.595  1.0
  O  O23  1  0.981  0.287  0.393  1.0
  O  O24  1  0.389  0.614  0.230  1.0
  O  O25  1  0.761  0.386  0.240  1.0
  O  O26  1  0.058  0.660  0.293  1.0
  O  O27  1  0.368  0.232  0.778  1.0
  O  O28  1  0.308  0.504  0.078  1.0
  O  O29  1  0.297  0.342  0.388  1.0
  O  O30  1  0.976  0.059  0.297  1.0
  O  O31  1  0.639  0.038  0.599  1.0
  O  O32  1  0.325  0.017  0.706  1.0
  O  O33  1  0.501  0.106  0.083  1.0
  O  O34  1  0.101  0.308  0.080  1.0
[/CIF]
.
The crystal structure described by LiMgCr3Se2(SO6)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(15), one O(19), one O(21), and one O(3) 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-70°. Mg(1) is bonded to one O(12), one O(16), one O(20), one O(21), one O(3), and one O(6) 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)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(14), one O(15), one O(2), one O(7), 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)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(11), one O(17), one O(18), one O(23), and one O(24) 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 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 S(4)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(13), one O(19), one O(22), one O(4), one O(5), 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 S(1)O4 tetrahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(11), one O(6), one O(7), 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, and  a cornercorner with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the second Se site, Se(2) is bonded to one O(1), one O(10), one O(12), and one O(5) 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 36-50°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(23), one O(3), one O(4), and one O(8) 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 27-44°. In the second S site, S(2) is bonded to one O(13), one O(15), one O(20), 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 29-45°. In the third S site, S(3) is bonded to one O(14), one O(16), one O(18), and one O(19) 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 27-45°. In the fourth S site, S(4) is bonded to one O(17), one O(2), one O(21), and one O(22) 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 22-43°. 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one S(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cr(3) and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one Se(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(3) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cr(2) and one Se(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(2) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one S(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(4) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), 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 Mg(1) and one S(2) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(1), one Mg(1), and one S(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(3) and one S(4) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(2) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMgCr3Se2(SO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.422
_cell_length_b   8.431
_cell_length_c   8.952
_cell_angle_alpha   62.571
_cell_angle_beta   62.504
_cell_angle_gamma   60.511
_symmetry_Int_Tables_number   1
_cell_volume   467.855
_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  0.577  0.238  0.372  1.0
  Mg  Mg1  1  0.857  0.846  0.438  1.0
  Cr  Cr2  1  0.643  0.649  0.068  1.0
  Cr  Cr3  1  0.355  0.349  0.935  1.0
  Cr  Cr4  1  0.154  0.152  0.545  1.0
  Se  Se5  1  0.747  0.462  0.746  1.0
  Se  Se6  1  0.046  0.746  0.747  1.0
  S  S7  1  0.529  0.964  0.252  1.0
  S  S8  1  0.961  0.255  0.252  1.0
  S  S9  1  0.257  0.535  0.246  1.0
  S  S10  1  0.459  0.042  0.749  1.0
  O  O11  1  0.886  0.697  0.946  1.0
  O  O12  1  0.495  0.889  0.913  1.0
  O  O13  1  0.658  0.998  0.296  1.0
  O  O14  1  0.342  0.978  0.396  1.0
  O  O15  1  0.009  0.975  0.706  1.0
  O  O16  1  0.702  0.670  0.593  1.0
  O  O17  1  0.695  0.477  0.945  1.0
  O  O18  1  0.614  0.770  0.236  1.0
  O  O19  1  0.977  0.317  0.703  1.0
  O  O20  1  0.264  0.607  0.767  1.0
  O  O21  1  0.614  0.351  0.769  1.0
  O  O22  1  0.026  0.705  0.595  1.0
  O  O23  1  0.981  0.287  0.393  1.0
  O  O24  1  0.389  0.614  0.230  1.0
  O  O25  1  0.761  0.386  0.240  1.0
  O  O26  1  0.058  0.660  0.293  1.0
  O  O27  1  0.368  0.232  0.778  1.0
  O  O28  1  0.308  0.504  0.078  1.0
  O  O29  1  0.297  0.342  0.388  1.0
  O  O30  1  0.976  0.059  0.297  1.0
  O  O31  1  0.639  0.038  0.599  1.0
  O  O32  1  0.325  0.017  0.706  1.0
  O  O33  1  0.501  0.106  0.083  1.0
  O  O34  1  0.101  0.308  0.080  1.0
[/CIF]
.