The compound described by MnGa2S4 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(13), one S(16), one S(20), one S(24), one S(3), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra, corners with two equivalent Ga(7)S4 tetrahedra, corners with two equivalent Ga(9)S4 tetrahedra,  an edgeedge with one Mn(5)S6 octahedra, and edges with two equivalent Mn(6)S6 octahedra. In the second Mn site, Mn(2) is bonded to one S(11), one S(15), one S(18), one S(21), one S(22), and one S(6) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra,  an edgeedge with one Mn(5)S6 octahedra, edges with two equivalent Mn(3)S6 octahedra, and edges with two equivalent Mn(4)S6 octahedra. In the third Mn site, Mn(3) is bonded to one S(11), one S(17), one S(18), one S(19), one S(21), and one S(22) atom to form MnS6 octahedra that share  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra, corners with two equivalent Ga(5)S4 tetrahedra, corners with two equivalent Ga(8)S4 tetrahedra,  an edgeedge with one Mn(4)S6 octahedra, and edges with two equivalent Mn(2)S6 octahedra. In the fourth Mn site, Mn(4) is bonded to one S(12), one S(15), one S(18), one S(21), one S(4), and one S(6) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  an edgeedge with one Mn(3)S6 octahedra,  an edgeedge with one Mn(6)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Mn(5)S6 octahedra. In the fifth Mn site, Mn(5) is bonded to one S(12), one S(15), one S(20), one S(4), one S(6), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  an edgeedge with one Mn(1)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Mn(4)S6 octahedra, and edges with two equivalent Mn(6)S6 octahedra. In the sixth Mn site, Mn(6) is bonded to one S(12), one S(13), one S(16), one S(20), one S(4), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra,  an edgeedge with one Mn(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with two equivalent Mn(5)S6 octahedra. There are twelve inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(15), one S(23), one S(5), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra, corners with two equivalent Ga(11)S4 tetrahedra, and corners with two equivalent Ga(12)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Ga site, Ga(2) is bonded to one S(1), one S(19), one S(20), and one S(23) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(12)S4 tetrahedra, and corners with two equivalent Ga(5)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the third Ga site, Ga(3) is bonded to one S(10), one S(14), one S(17), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(6)S4 tetrahedra, corners with two equivalent Ga(4)S4 tetrahedra, and corners with two equivalent Ga(8)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the fourth Ga site, Ga(4) is bonded to one S(10), one S(14), one S(4), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and corners with two equivalent Ga(6)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fifth Ga site, Ga(5) is bonded to one S(1), one S(11), one S(13), and one S(19) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(3)S6 octahedra,  a cornercorner with one Ga(12)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and  an edgeedge with one Ga(7)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the sixth Ga site, Ga(6) is bonded to one S(14), one S(2), one S(6), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra, corners with two equivalent Ga(10)S4 tetrahedra, and corners with two equivalent Ga(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the seventh Ga site, Ga(7) is bonded to one S(11), one S(13), one S(2), and one S(24) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra,  a cornercorner with one Ga(6)S4 tetrahedra, corners with two equivalent Ga(10)S4 tetrahedra, and  an edgeedge with one Ga(5)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the eighth Ga site, Ga(8) is bonded to one S(10), one S(16), one S(17), and one S(22) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(3)S6 octahedra,  a cornercorner with one Ga(4)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and  an edgeedge with one Ga(9)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the ninth Ga site, Ga(9) is bonded to one S(16), one S(22), one S(3), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(11)S4 tetrahedra, and  an edgeedge with one Ga(8)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the tenth Ga site, Ga(10) is bonded to one S(18), one S(2), one S(24), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Ga(4)S4 tetrahedra, corners with two equivalent Ga(6)S4 tetrahedra, and corners with two equivalent Ga(7)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eleventh Ga site, Ga(11) is bonded to one S(21), one S(3), one S(5), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Ga(12)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(9)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the twelfth Ga site, Ga(12) is bonded to one S(1), one S(12), one S(23), and one S(5) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ga(12), one Ga(2), and one Ga(5) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ga(10), one Ga(6), and one Ga(7) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one Mn(1), one Ga(11), and one Ga(9) atom. In the fourth S site, S(4) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(11), and one Ga(12) atom. In the sixth S site, S(6) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Ga(6) atom to form a mixture of distorted corner and edge-sharing SMn3Ga tetrahedra. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(11), and one Ga(9) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(5), one Mn(6), and one Ga(3) atom. In the ninth S site, S(9) is bonded in a trigonal non-coplanar geometry to one Ga(10), one Ga(4), and one Ga(6) atom. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Ga(3), one Ga(4), and one Ga(8) atom. In the eleventh S site, S(11) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), one Ga(5), and one Ga(7) atom. In the twelfth S site, S(12) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Ga(12) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the thirteenth S site, S(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Ga(5), and one Ga(7) atom. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Ga(3), one Ga(4), and one Ga(6) atom. In the fifteenth S site, S(15) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the sixteenth S site, S(16) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Ga(8), and one Ga(9) atom. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Mn(3), one Ga(3), and one Ga(8) atom. In the eighteenth S site, S(18) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Ga(10) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the nineteenth S site, S(19) is bonded in a trigonal planar geometry to one Mn(3), one Ga(2), and one Ga(5) atom. In the twentieth S site, S(20) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(5), one Mn(6), and one Ga(2) atom. In the twenty-first S site, S(21) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(4), and one Ga(11) atom. In the twenty-second S site, S(22) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), one Ga(8), and one Ga(9) atom. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(12), and one Ga(2) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal planar geometry to one Mn(1), one Ga(10), and one Ga(7) atom. is represented by the CIF card [CIF]
data_Mn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.444
_cell_length_b   12.398
_cell_length_c   13.066
_cell_angle_alpha   115.350
_cell_angle_beta   99.040
_cell_angle_gamma   100.830
_symmetry_Int_Tables_number   1
_cell_volume   892.778
_cell_formula_units_Z   6
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
  Mn  Mn0  1  0.464  0.216  0.434  1.0
  Mn  Mn1  1  0.120  0.869  0.740  1.0
  Mn  Mn2  1  0.537  0.784  0.565  1.0
  Mn  Mn3  1  0.705  0.957  0.912  1.0
  Mn  Mn4  1  0.295  0.043  0.087  1.0
  Mn  Mn5  1  0.878  0.128  0.257  1.0
  Ga  Ga6  1  0.293  0.672  0.919  1.0
  Ga  Ga7  1  0.454  0.833  0.252  1.0
  Ga  Ga8  1  0.301  0.418  0.251  1.0
  Ga  Ga9  1  0.710  0.329  0.080  1.0
  Ga  Ga10  1  0.034  0.887  0.402  1.0
  Ga  Ga11  1  0.129  0.246  0.918  1.0
  Ga  Ga12  1  0.970  0.116  0.600  1.0
  Ga  Ga13  1  0.872  0.518  0.402  1.0
  Ga  Ga14  1  0.131  0.486  0.598  1.0
  Ga  Ga15  1  0.551  0.166  0.749  1.0
  Ga  Ga16  1  0.702  0.581  0.748  1.0
  Ga  Ga17  1  0.871  0.751  0.081  1.0
  S  S18  1  0.747  0.743  0.237  1.0
  S  S19  1  0.257  0.257  0.764  1.0
  S  S20  1  0.427  0.414  0.603  1.0
  S  S21  1  0.671  0.150  0.088  1.0
  S  S22  1  0.596  0.591  0.918  1.0
  S  S23  1  0.080  0.060  0.911  1.0
  S  S24  1  0.011  0.508  0.764  1.0
  S  S25  1  0.256  0.239  0.264  1.0
  S  S26  1  0.825  0.326  0.918  1.0
  S  S27  1  0.992  0.493  0.236  1.0
  S  S28  1  0.917  0.912  0.569  1.0
  S  S29  1  0.922  0.937  0.088  1.0
  S  S30  1  0.087  0.090  0.433  1.0
  S  S31  1  0.405  0.407  0.081  1.0
  S  S32  1  0.332  0.850  0.910  1.0
  S  S33  1  0.845  0.345  0.433  1.0
  S  S34  1  0.571  0.585  0.399  1.0
  S  S35  1  0.497  0.975  0.736  1.0
  S  S36  1  0.325  0.810  0.397  1.0
  S  S37  1  0.509  0.025  0.265  1.0
  S  S38  1  0.743  0.760  0.736  1.0
  S  S39  1  0.158  0.659  0.568  1.0
  S  S40  1  0.180  0.675  0.082  1.0
  S  S41  1  0.671  0.185  0.600  1.0
[/CIF]
.
The compound described by MnGa2S4 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(13), one S(16), one S(20), one S(24), one S(3), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra, corners with two equivalent Ga(7)S4 tetrahedra, corners with two equivalent Ga(9)S4 tetrahedra,  an edgeedge with one Mn(5)S6 octahedra, and edges with two equivalent Mn(6)S6 octahedra. In the second Mn site, Mn(2) is bonded to one S(11), one S(15), one S(18), one S(21), one S(22), and one S(6) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra,  an edgeedge with one Mn(5)S6 octahedra, edges with two equivalent Mn(3)S6 octahedra, and edges with two equivalent Mn(4)S6 octahedra. In the third Mn site, Mn(3) is bonded to one S(11), one S(17), one S(18), one S(19), one S(21), and one S(22) atom to form MnS6 octahedra that share  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra, corners with two equivalent Ga(5)S4 tetrahedra, corners with two equivalent Ga(8)S4 tetrahedra,  an edgeedge with one Mn(4)S6 octahedra, and edges with two equivalent Mn(2)S6 octahedra. In the fourth Mn site, Mn(4) is bonded to one S(12), one S(15), one S(18), one S(21), one S(4), and one S(6) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  an edgeedge with one Mn(3)S6 octahedra,  an edgeedge with one Mn(6)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent Mn(5)S6 octahedra. In the fifth Mn site, Mn(5) is bonded to one S(12), one S(15), one S(20), one S(4), one S(6), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra,  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(6)S4 tetrahedra,  an edgeedge with one Mn(1)S6 octahedra,  an edgeedge with one Mn(2)S6 octahedra, edges with two equivalent Mn(4)S6 octahedra, and edges with two equivalent Mn(6)S6 octahedra. In the sixth Mn site, Mn(6) is bonded to one S(12), one S(13), one S(16), one S(20), one S(4), and one S(8) atom to form MnS6 octahedra that share  a cornercorner with one Ga(12)S4 tetrahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(4)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra,  an edgeedge with one Mn(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with two equivalent Mn(5)S6 octahedra. There are twelve inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(15), one S(23), one S(5), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra,  a cornercorner with one Ga(9)S4 tetrahedra, corners with two equivalent Ga(11)S4 tetrahedra, and corners with two equivalent Ga(12)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Ga site, Ga(2) is bonded to one S(1), one S(19), one S(20), and one S(23) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(12)S4 tetrahedra, and corners with two equivalent Ga(5)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the third Ga site, Ga(3) is bonded to one S(10), one S(14), one S(17), and one S(8) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(6)S4 tetrahedra, corners with two equivalent Ga(4)S4 tetrahedra, and corners with two equivalent Ga(8)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the fourth Ga site, Ga(4) is bonded to one S(10), one S(14), one S(4), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(10)S4 tetrahedra,  a cornercorner with one Ga(8)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and corners with two equivalent Ga(6)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the fifth Ga site, Ga(5) is bonded to one S(1), one S(11), one S(13), and one S(19) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(3)S6 octahedra,  a cornercorner with one Ga(12)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and  an edgeedge with one Ga(7)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the sixth Ga site, Ga(6) is bonded to one S(14), one S(2), one S(6), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra,  a cornercorner with one Ga(7)S4 tetrahedra, corners with two equivalent Ga(10)S4 tetrahedra, and corners with two equivalent Ga(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the seventh Ga site, Ga(7) is bonded to one S(11), one S(13), one S(2), and one S(24) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra,  a cornercorner with one Ga(6)S4 tetrahedra, corners with two equivalent Ga(10)S4 tetrahedra, and  an edgeedge with one Ga(5)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the eighth Ga site, Ga(8) is bonded to one S(10), one S(16), one S(17), and one S(22) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(3)S6 octahedra,  a cornercorner with one Ga(4)S4 tetrahedra, corners with two equivalent Ga(3)S4 tetrahedra, and  an edgeedge with one Ga(9)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the ninth Ga site, Ga(9) is bonded to one S(16), one S(22), one S(3), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra,  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ga(11)S4 tetrahedra, and  an edgeedge with one Ga(8)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the tenth Ga site, Ga(10) is bonded to one S(18), one S(2), one S(24), and one S(9) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Ga(4)S4 tetrahedra, corners with two equivalent Ga(6)S4 tetrahedra, and corners with two equivalent Ga(7)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eleventh Ga site, Ga(11) is bonded to one S(21), one S(3), one S(5), and one S(7) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(1)S6 octahedra,  a cornercorner with one Mn(2)S6 octahedra,  a cornercorner with one Mn(3)S6 octahedra,  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Ga(12)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(9)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the twelfth Ga site, Ga(12) is bonded to one S(1), one S(12), one S(23), and one S(5) atom to form GaS4 tetrahedra that share  a cornercorner with one Mn(4)S6 octahedra,  a cornercorner with one Mn(5)S6 octahedra,  a cornercorner with one Mn(6)S6 octahedra,  a cornercorner with one Ga(11)S4 tetrahedra,  a cornercorner with one Ga(5)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and corners with two equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ga(12), one Ga(2), and one Ga(5) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ga(10), one Ga(6), and one Ga(7) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one Mn(1), one Ga(11), and one Ga(9) atom. In the fourth S site, S(4) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Ga(4) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(11), and one Ga(12) atom. In the sixth S site, S(6) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Ga(6) atom to form a mixture of distorted corner and edge-sharing SMn3Ga tetrahedra. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(11), and one Ga(9) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(5), one Mn(6), and one Ga(3) atom. In the ninth S site, S(9) is bonded in a trigonal non-coplanar geometry to one Ga(10), one Ga(4), and one Ga(6) atom. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Ga(3), one Ga(4), and one Ga(8) atom. In the eleventh S site, S(11) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), one Ga(5), and one Ga(7) atom. In the twelfth S site, S(12) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Ga(12) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the thirteenth S site, S(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Ga(5), and one Ga(7) atom. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Ga(3), one Ga(4), and one Ga(6) atom. In the fifteenth S site, S(15) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the sixteenth S site, S(16) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Ga(8), and one Ga(9) atom. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Mn(3), one Ga(3), and one Ga(8) atom. In the eighteenth S site, S(18) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Ga(10) atom to form a mixture of distorted corner and edge-sharing SMn3Ga trigonal pyramids. In the nineteenth S site, S(19) is bonded in a trigonal planar geometry to one Mn(3), one Ga(2), and one Ga(5) atom. In the twentieth S site, S(20) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(5), one Mn(6), and one Ga(2) atom. In the twenty-first S site, S(21) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(4), and one Ga(11) atom. In the twenty-second S site, S(22) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(3), one Ga(8), and one Ga(9) atom. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(12), and one Ga(2) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal planar geometry to one Mn(1), one Ga(10), and one Ga(7) atom. is represented by the CIF card [CIF]
data_Mn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.444
_cell_length_b   12.398
_cell_length_c   13.066
_cell_angle_alpha   115.350
_cell_angle_beta   99.040
_cell_angle_gamma   100.830
_symmetry_Int_Tables_number   1
_cell_volume   892.778
_cell_formula_units_Z   6
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
  Mn  Mn0  1  0.464  0.216  0.434  1.0
  Mn  Mn1  1  0.120  0.869  0.740  1.0
  Mn  Mn2  1  0.537  0.784  0.565  1.0
  Mn  Mn3  1  0.705  0.957  0.912  1.0
  Mn  Mn4  1  0.295  0.043  0.087  1.0
  Mn  Mn5  1  0.878  0.128  0.257  1.0
  Ga  Ga6  1  0.293  0.672  0.919  1.0
  Ga  Ga7  1  0.454  0.833  0.252  1.0
  Ga  Ga8  1  0.301  0.418  0.251  1.0
  Ga  Ga9  1  0.710  0.329  0.080  1.0
  Ga  Ga10  1  0.034  0.887  0.402  1.0
  Ga  Ga11  1  0.129  0.246  0.918  1.0
  Ga  Ga12  1  0.970  0.116  0.600  1.0
  Ga  Ga13  1  0.872  0.518  0.402  1.0
  Ga  Ga14  1  0.131  0.486  0.598  1.0
  Ga  Ga15  1  0.551  0.166  0.749  1.0
  Ga  Ga16  1  0.702  0.581  0.748  1.0
  Ga  Ga17  1  0.871  0.751  0.081  1.0
  S  S18  1  0.747  0.743  0.237  1.0
  S  S19  1  0.257  0.257  0.764  1.0
  S  S20  1  0.427  0.414  0.603  1.0
  S  S21  1  0.671  0.150  0.088  1.0
  S  S22  1  0.596  0.591  0.918  1.0
  S  S23  1  0.080  0.060  0.911  1.0
  S  S24  1  0.011  0.508  0.764  1.0
  S  S25  1  0.256  0.239  0.264  1.0
  S  S26  1  0.825  0.326  0.918  1.0
  S  S27  1  0.992  0.493  0.236  1.0
  S  S28  1  0.917  0.912  0.569  1.0
  S  S29  1  0.922  0.937  0.088  1.0
  S  S30  1  0.087  0.090  0.433  1.0
  S  S31  1  0.405  0.407  0.081  1.0
  S  S32  1  0.332  0.850  0.910  1.0
  S  S33  1  0.845  0.345  0.433  1.0
  S  S34  1  0.571  0.585  0.399  1.0
  S  S35  1  0.497  0.975  0.736  1.0
  S  S36  1  0.325  0.810  0.397  1.0
  S  S37  1  0.509  0.025  0.265  1.0
  S  S38  1  0.743  0.760  0.736  1.0
  S  S39  1  0.158  0.659  0.568  1.0
  S  S40  1  0.180  0.675  0.082  1.0
  S  S41  1  0.671  0.185  0.600  1.0
[/CIF]
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