The material described by LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one In(1), one Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to three equivalent In(1), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to four equivalent In(1), one Ge(2), and four equivalent Ge(1) atoms. In(1) is bonded in a 12-coordinate geometry to one Li(1), three equivalent Ca(1), four equivalent Ca(2), two equivalent Ge(1), and two 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 one Li(1), two equivalent Ca(1), four equivalent Ca(2), and two equivalent In(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Ca(2), three equivalent Ca(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_LiCa2InGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.458
_cell_length_b   7.278
_cell_length_c   16.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.364
_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  0.987  0.068  1.0
  Li  Li1  1  0.750  0.513  0.568  1.0
  Li  Li2  1  0.250  0.487  0.432  1.0
  Li  Li3  1  0.750  0.013  0.932  1.0
  Ca  Ca4  1  0.750  0.157  0.438  1.0
  Ca  Ca5  1  0.250  0.991  0.779  1.0
  Ca  Ca6  1  0.250  0.343  0.938  1.0
  Ca  Ca7  1  0.750  0.657  0.062  1.0
  Ca  Ca8  1  0.250  0.843  0.562  1.0
  Ca  Ca9  1  0.750  0.009  0.221  1.0
  Ca  Ca10  1  0.750  0.509  0.279  1.0
  Ca  Ca11  1  0.250  0.491  0.721  1.0
  In  In12  1  0.250  0.341  0.153  1.0
  In  In13  1  0.750  0.159  0.653  1.0
  In  In14  1  0.250  0.841  0.347  1.0
  In  In15  1  0.750  0.659  0.847  1.0
  Ge  Ge16  1  0.250  0.225  0.315  1.0
  Ge  Ge17  1  0.250  0.274  0.563  1.0
  Ge  Ge18  1  0.750  0.726  0.437  1.0
  Ge  Ge19  1  0.750  0.275  0.815  1.0
  Ge  Ge20  1  0.750  0.775  0.685  1.0
  Ge  Ge21  1  0.750  0.226  0.063  1.0
  Ge  Ge22  1  0.250  0.774  0.937  1.0
  Ge  Ge23  1  0.250  0.725  0.185  1.0
[/CIF]
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The material described by LiCa2InGe2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one In(1), one Ge(1), and three equivalent Ge(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to three equivalent In(1), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to four equivalent In(1), one Ge(2), and four equivalent Ge(1) atoms. In(1) is bonded in a 12-coordinate geometry to one Li(1), three equivalent Ca(1), four equivalent Ca(2), two equivalent Ge(1), and two 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 one Li(1), two equivalent Ca(1), four equivalent Ca(2), and two equivalent In(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Li(1), one Ca(2), three equivalent Ca(1), and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_LiCa2InGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.458
_cell_length_b   7.278
_cell_length_c   16.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.364
_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  0.987  0.068  1.0
  Li  Li1  1  0.750  0.513  0.568  1.0
  Li  Li2  1  0.250  0.487  0.432  1.0
  Li  Li3  1  0.750  0.013  0.932  1.0
  Ca  Ca4  1  0.750  0.157  0.438  1.0
  Ca  Ca5  1  0.250  0.991  0.779  1.0
  Ca  Ca6  1  0.250  0.343  0.938  1.0
  Ca  Ca7  1  0.750  0.657  0.062  1.0
  Ca  Ca8  1  0.250  0.843  0.562  1.0
  Ca  Ca9  1  0.750  0.009  0.221  1.0
  Ca  Ca10  1  0.750  0.509  0.279  1.0
  Ca  Ca11  1  0.250  0.491  0.721  1.0
  In  In12  1  0.250  0.341  0.153  1.0
  In  In13  1  0.750  0.159  0.653  1.0
  In  In14  1  0.250  0.841  0.347  1.0
  In  In15  1  0.750  0.659  0.847  1.0
  Ge  Ge16  1  0.250  0.225  0.315  1.0
  Ge  Ge17  1  0.250  0.274  0.563  1.0
  Ge  Ge18  1  0.750  0.726  0.437  1.0
  Ge  Ge19  1  0.750  0.275  0.815  1.0
  Ge  Ge20  1  0.750  0.775  0.685  1.0
  Ge  Ge21  1  0.750  0.226  0.063  1.0
  Ge  Ge22  1  0.250  0.774  0.937  1.0
  Ge  Ge23  1  0.250  0.725  0.185  1.0
[/CIF]
.