The material described by LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent Ge(3), three equivalent Ge(1), and four equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), three equivalent Ca(2), one Ge(2), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), one Ca(1), four equivalent Ca(2), one Ge(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ca(2), four equivalent Ca(1), one Ge(1), and one Ge(3) atom. is represented by the CIF file [CIF]
data_LiCa2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   10.710
_cell_length_c   11.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   536.550
_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  0.500  0.138  0.718  1.0
  Li  Li1  1  0.500  0.862  0.282  1.0
  Li  Li2  1  0.000  0.362  0.218  1.0
  Li  Li3  1  0.000  0.638  0.782  1.0
  Ca  Ca4  1  0.000  0.053  0.148  1.0
  Ca  Ca5  1  0.500  0.178  0.428  1.0
  Ca  Ca6  1  0.000  0.947  0.852  1.0
  Ca  Ca7  1  0.000  0.678  0.072  1.0
  Ca  Ca8  1  0.500  0.822  0.572  1.0
  Ca  Ca9  1  0.500  0.553  0.352  1.0
  Ca  Ca10  1  0.000  0.322  0.928  1.0
  Ca  Ca11  1  0.500  0.447  0.648  1.0
  Ge  Ge12  1  0.000  0.256  0.641  1.0
  Ge  Ge13  1  0.500  0.471  0.104  1.0
  Ge  Ge14  1  0.500  0.244  0.141  1.0
  Ge  Ge15  1  0.500  0.529  0.896  1.0
  Ge  Ge16  1  0.500  0.111  0.956  1.0
  Ge  Ge17  1  0.500  0.756  0.859  1.0
  Ge  Ge18  1  0.000  0.029  0.604  1.0
  Ge  Ge19  1  0.000  0.611  0.544  1.0
  Ge  Ge20  1  0.000  0.744  0.359  1.0
  Ge  Ge21  1  0.000  0.389  0.456  1.0
  Ge  Ge22  1  0.500  0.889  0.044  1.0
  Ge  Ge23  1  0.000  0.971  0.396  1.0
[/CIF]
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The material described by LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. Li(1) is bonded in a 5-coordinate geometry to one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent Ge(3), three equivalent Ge(1), and four equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), three equivalent Ca(2), one Ge(2), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), one Ca(1), four equivalent Ca(2), one Ge(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Ca(2), four equivalent Ca(1), one Ge(1), and one Ge(3) atom. is represented by the CIF file [CIF]
data_LiCa2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   10.710
_cell_length_c   11.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   536.550
_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  0.500  0.138  0.718  1.0
  Li  Li1  1  0.500  0.862  0.282  1.0
  Li  Li2  1  0.000  0.362  0.218  1.0
  Li  Li3  1  0.000  0.638  0.782  1.0
  Ca  Ca4  1  0.000  0.053  0.148  1.0
  Ca  Ca5  1  0.500  0.178  0.428  1.0
  Ca  Ca6  1  0.000  0.947  0.852  1.0
  Ca  Ca7  1  0.000  0.678  0.072  1.0
  Ca  Ca8  1  0.500  0.822  0.572  1.0
  Ca  Ca9  1  0.500  0.553  0.352  1.0
  Ca  Ca10  1  0.000  0.322  0.928  1.0
  Ca  Ca11  1  0.500  0.447  0.648  1.0
  Ge  Ge12  1  0.000  0.256  0.641  1.0
  Ge  Ge13  1  0.500  0.471  0.104  1.0
  Ge  Ge14  1  0.500  0.244  0.141  1.0
  Ge  Ge15  1  0.500  0.529  0.896  1.0
  Ge  Ge16  1  0.500  0.111  0.956  1.0
  Ge  Ge17  1  0.500  0.756  0.859  1.0
  Ge  Ge18  1  0.000  0.029  0.604  1.0
  Ge  Ge19  1  0.000  0.611  0.544  1.0
  Ge  Ge20  1  0.000  0.744  0.359  1.0
  Ge  Ge21  1  0.000  0.389  0.456  1.0
  Ge  Ge22  1  0.500  0.889  0.044  1.0
  Ge  Ge23  1  0.000  0.971  0.396  1.0
[/CIF]
.