The crystal structure described by LiCaGe2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Ge(2) and three equivalent Ge(1) atoms. Ca(1) is bonded in a 9-coordinate geometry to four equivalent Ge(1) and five equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), four equivalent Ca(1), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), five equivalent Ca(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   8.021
_cell_length_c   10.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.554
_cell_formula_units_Z   4
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  0.250  0.494  0.889  1.0
  Li  Li1  1  0.250  0.994  0.611  1.0
  Li  Li2  1  0.750  0.506  0.111  1.0
  Li  Li3  1  0.750  0.006  0.389  1.0
  Ca  Ca4  1  0.750  0.368  0.635  1.0
  Ca  Ca5  1  0.250  0.132  0.135  1.0
  Ca  Ca6  1  0.250  0.632  0.365  1.0
  Ca  Ca7  1  0.750  0.868  0.865  1.0
  Ge  Ge8  1  0.250  0.727  0.064  1.0
  Ge  Ge9  1  0.250  0.663  0.679  1.0
  Ge  Ge10  1  0.750  0.837  0.179  1.0
  Ge  Ge11  1  0.250  0.163  0.821  1.0
  Ge  Ge12  1  0.750  0.273  0.936  1.0
  Ge  Ge13  1  0.250  0.227  0.436  1.0
  Ge  Ge14  1  0.750  0.773  0.564  1.0
  Ge  Ge15  1  0.750  0.337  0.321  1.0
[/CIF]
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The crystal structure described by LiCaGe2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Ge(2) and three equivalent Ge(1) atoms. Ca(1) is bonded in a 9-coordinate geometry to four equivalent Ge(1) and five equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Li(1), four equivalent Ca(1), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), five equivalent Ca(1), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   8.021
_cell_length_c   10.702
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.554
_cell_formula_units_Z   4
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  0.250  0.494  0.889  1.0
  Li  Li1  1  0.250  0.994  0.611  1.0
  Li  Li2  1  0.750  0.506  0.111  1.0
  Li  Li3  1  0.750  0.006  0.389  1.0
  Ca  Ca4  1  0.750  0.368  0.635  1.0
  Ca  Ca5  1  0.250  0.132  0.135  1.0
  Ca  Ca6  1  0.250  0.632  0.365  1.0
  Ca  Ca7  1  0.750  0.868  0.865  1.0
  Ge  Ge8  1  0.250  0.727  0.064  1.0
  Ge  Ge9  1  0.250  0.663  0.679  1.0
  Ge  Ge10  1  0.750  0.837  0.179  1.0
  Ge  Ge11  1  0.250  0.163  0.821  1.0
  Ge  Ge12  1  0.750  0.273  0.936  1.0
  Ge  Ge13  1  0.250  0.227  0.436  1.0
  Ge  Ge14  1  0.750  0.773  0.564  1.0
  Ge  Ge15  1  0.750  0.337  0.321  1.0
[/CIF]
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