The material structure described by LiMnSi3O8 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two LiMnSi3O8 clusters. Li(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. Mn(1) is bonded in a 1-coordinate geometry to one O(5) and one O(8) atom. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(7) atom. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one O(2) and one O(6) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Si(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.169
_cell_length_c   7.713
_cell_angle_alpha   117.317
_cell_angle_beta   108.808
_cell_angle_gamma   98.202
_symmetry_Int_Tables_number   1
_cell_volume   307.264
_cell_formula_units_Z   2
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  0.802  0.350  0.827  1.0
  Li  Li1  1  0.198  0.650  0.173  1.0
  Mn  Mn2  1  0.138  0.034  0.223  1.0
  Mn  Mn3  1  0.862  0.966  0.777  1.0
  Si  Si4  1  0.733  0.223  0.225  1.0
  Si  Si5  1  0.621  0.786  0.465  1.0
  Si  Si6  1  0.740  0.673  0.169  1.0
  Si  Si7  1  0.260  0.327  0.831  1.0
  Si  Si8  1  0.379  0.214  0.535  1.0
  Si  Si9  1  0.267  0.777  0.775  1.0
  O  O10  1  0.878  0.168  0.141  1.0
  O  O11  1  0.719  0.712  0.349  1.0
  O  O12  1  0.488  0.263  0.044  1.0
  O  O13  1  0.364  0.843  0.311  1.0
  O  O14  1  0.923  0.807  0.097  1.0
  O  O15  1  0.740  0.018  0.455  1.0
  O  O16  1  0.810  0.420  0.282  1.0
  O  O17  1  0.703  0.638  0.719  1.0
  O  O18  1  0.297  0.362  0.281  1.0
  O  O19  1  0.190  0.580  0.718  1.0
  O  O20  1  0.260  0.982  0.545  1.0
  O  O21  1  0.077  0.193  0.903  1.0
  O  O22  1  0.636  0.157  0.689  1.0
  O  O23  1  0.512  0.737  0.956  1.0
  O  O24  1  0.281  0.288  0.651  1.0
  O  O25  1  0.122  0.832  0.859  1.0
[/CIF]
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The material structure described by LiMnSi3O8 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two LiMnSi3O8 clusters. Li(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. Mn(1) is bonded in a 1-coordinate geometry to one O(5) and one O(8) atom. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(7) atom. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one O(2) and one O(6) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Si(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mn(1) atom. is represented by the CIF file [CIF]
data_LiMnSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   7.169
_cell_length_c   7.713
_cell_angle_alpha   117.317
_cell_angle_beta   108.808
_cell_angle_gamma   98.202
_symmetry_Int_Tables_number   1
_cell_volume   307.264
_cell_formula_units_Z   2
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  0.802  0.350  0.827  1.0
  Li  Li1  1  0.198  0.650  0.173  1.0
  Mn  Mn2  1  0.138  0.034  0.223  1.0
  Mn  Mn3  1  0.862  0.966  0.777  1.0
  Si  Si4  1  0.733  0.223  0.225  1.0
  Si  Si5  1  0.621  0.786  0.465  1.0
  Si  Si6  1  0.740  0.673  0.169  1.0
  Si  Si7  1  0.260  0.327  0.831  1.0
  Si  Si8  1  0.379  0.214  0.535  1.0
  Si  Si9  1  0.267  0.777  0.775  1.0
  O  O10  1  0.878  0.168  0.141  1.0
  O  O11  1  0.719  0.712  0.349  1.0
  O  O12  1  0.488  0.263  0.044  1.0
  O  O13  1  0.364  0.843  0.311  1.0
  O  O14  1  0.923  0.807  0.097  1.0
  O  O15  1  0.740  0.018  0.455  1.0
  O  O16  1  0.810  0.420  0.282  1.0
  O  O17  1  0.703  0.638  0.719  1.0
  O  O18  1  0.297  0.362  0.281  1.0
  O  O19  1  0.190  0.580  0.718  1.0
  O  O20  1  0.260  0.982  0.545  1.0
  O  O21  1  0.077  0.193  0.903  1.0
  O  O22  1  0.636  0.157  0.689  1.0
  O  O23  1  0.512  0.737  0.956  1.0
  O  O24  1  0.281  0.288  0.651  1.0
  O  O25  1  0.122  0.832  0.859  1.0
[/CIF]
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