The material described by LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cr(1), one O(3), one O(4), one O(7), and one O(8) atom. Cr(1) is bonded in a 9-coordinate geometry to one Li(1), one Si(3), one O(1), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one O(2), one O(6), and one O(8) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one O(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent Cr(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Si(2), and one O(3) atom. is represented by the CIF card [CIF]
data_LiCrSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   7.137
_cell_length_c   7.534
_cell_angle_alpha   117.357
_cell_angle_beta   105.969
_cell_angle_gamma   100.389
_symmetry_Int_Tables_number   1
_cell_volume   304.026
_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  0.364  0.804  0.191  1.0
  Li  Li1  1  0.636  0.196  0.809  1.0
  Cr  Cr2  1  0.050  0.133  0.788  1.0
  Cr  Cr3  1  0.950  0.867  0.212  1.0
  Si  Si4  1  0.237  0.735  0.787  1.0
  Si  Si5  1  0.813  0.622  0.543  1.0
  Si  Si6  1  0.680  0.744  0.822  1.0
  Si  Si7  1  0.320  0.256  0.178  1.0
  Si  Si8  1  0.187  0.378  0.457  1.0
  Si  Si9  1  0.763  0.265  0.213  1.0
  O  O10  1  0.192  0.867  0.886  1.0
  O  O11  1  0.700  0.719  0.630  1.0
  O  O12  1  0.264  0.484  0.961  1.0
  O  O13  1  0.850  0.367  0.687  1.0
  O  O14  1  0.820  0.931  0.887  1.0
  O  O15  1  0.037  0.757  0.555  1.0
  O  O16  1  0.436  0.820  0.723  1.0
  O  O17  1  0.697  0.717  0.278  1.0
  O  O18  1  0.303  0.283  0.722  1.0
  O  O19  1  0.564  0.180  0.277  1.0
  O  O20  1  0.963  0.243  0.445  1.0
  O  O21  1  0.180  0.069  0.113  1.0
  O  O22  1  0.150  0.633  0.313  1.0
  O  O23  1  0.736  0.516  0.039  1.0
  O  O24  1  0.300  0.281  0.370  1.0
  O  O25  1  0.808  0.133  0.114  1.0
[/CIF]
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The material described by LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cr(1), one O(3), one O(4), one O(7), and one O(8) atom. Cr(1) is bonded in a 9-coordinate geometry to one Li(1), one Si(3), one O(1), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one O(2), one O(6), and one O(8) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one O(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent Cr(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Si(2), and one O(3) atom. is represented by the CIF card [CIF]
data_LiCrSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.096
_cell_length_b   7.137
_cell_length_c   7.534
_cell_angle_alpha   117.357
_cell_angle_beta   105.969
_cell_angle_gamma   100.389
_symmetry_Int_Tables_number   1
_cell_volume   304.026
_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  0.364  0.804  0.191  1.0
  Li  Li1  1  0.636  0.196  0.809  1.0
  Cr  Cr2  1  0.050  0.133  0.788  1.0
  Cr  Cr3  1  0.950  0.867  0.212  1.0
  Si  Si4  1  0.237  0.735  0.787  1.0
  Si  Si5  1  0.813  0.622  0.543  1.0
  Si  Si6  1  0.680  0.744  0.822  1.0
  Si  Si7  1  0.320  0.256  0.178  1.0
  Si  Si8  1  0.187  0.378  0.457  1.0
  Si  Si9  1  0.763  0.265  0.213  1.0
  O  O10  1  0.192  0.867  0.886  1.0
  O  O11  1  0.700  0.719  0.630  1.0
  O  O12  1  0.264  0.484  0.961  1.0
  O  O13  1  0.850  0.367  0.687  1.0
  O  O14  1  0.820  0.931  0.887  1.0
  O  O15  1  0.037  0.757  0.555  1.0
  O  O16  1  0.436  0.820  0.723  1.0
  O  O17  1  0.697  0.717  0.278  1.0
  O  O18  1  0.303  0.283  0.722  1.0
  O  O19  1  0.564  0.180  0.277  1.0
  O  O20  1  0.963  0.243  0.445  1.0
  O  O21  1  0.180  0.069  0.113  1.0
  O  O22  1  0.150  0.633  0.313  1.0
  O  O23  1  0.736  0.516  0.039  1.0
  O  O24  1  0.300  0.281  0.370  1.0
  O  O25  1  0.808  0.133  0.114  1.0
[/CIF]
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