The compound described by Ti4Cr2Ge5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to two equivalent Ti(2), two equivalent Cr(1), two equivalent Cr(2), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent Ti(3), one Cr(2), one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Ti(3), four equivalent Ti(2), two equivalent Ge(3), and four equivalent Ge(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Cr(1), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Cr(1), and two equivalent Cr(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Ti(2), two equivalent Cr(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Cr(1), and two equivalent Cr(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Ti4Cr2Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   8.336
_cell_length_c   9.223
_cell_angle_alpha   63.414
_cell_angle_beta   74.073
_cell_angle_gamma   90.892
_symmetry_Int_Tables_number   1
_cell_volume   338.794
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.089  0.810  0.822  1.0
  Ti  Ti3  1  0.090  0.369  0.822  1.0
  Ti  Ti4  1  0.910  0.631  0.178  1.0
  Ti  Ti5  1  0.911  0.190  0.178  1.0
  Ti  Ti6  1  0.757  1.000  0.000  1.0
  Ti  Ti7  1  0.243  0.000  0.000  1.0
  Cr  Cr8  1  0.350  0.350  0.300  1.0
  Cr  Cr9  1  0.650  0.650  0.700  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.000  0.500  0.500  1.0
  Ge  Ge12  1  0.210  0.710  0.581  1.0
  Ge  Ge13  1  0.790  0.290  0.419  1.0
  Ge  Ge14  1  0.738  0.498  0.000  1.0
  Ge  Ge15  1  0.262  0.502  0.000  1.0
  Ge  Ge16  1  0.173  0.173  0.654  1.0
  Ge  Ge17  1  0.827  0.827  0.346  1.0
  Ge  Ge18  1  0.399  0.090  0.217  1.0
  Ge  Ge19  1  0.384  0.693  0.217  1.0
  Ge  Ge20  1  0.616  0.307  0.783  1.0
  Ge  Ge21  1  0.601  0.910  0.783  1.0
[/CIF]
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The compound described by Ti4Cr2Ge5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to two equivalent Ti(2), two equivalent Cr(1), two equivalent Cr(2), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one Ti(1), two equivalent Ti(3), one Cr(2), one Ge(1), one Ge(3), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to two equivalent Ti(3), four equivalent Ti(2), two equivalent Ge(3), and four equivalent Ge(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), one Ge(3), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(4) atoms. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Cr(1), two equivalent Ge(1), two equivalent Ge(3), and two equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Cr(1), and two equivalent Cr(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to four equivalent Ti(2), two equivalent Cr(1), and two equivalent Ge(2) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Cr(1), and two equivalent Cr(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 7-coordinate geometry to one Ti(1), two equivalent Ti(2), two equivalent Ti(3), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Ti4Cr2Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.192
_cell_length_b   8.336
_cell_length_c   9.223
_cell_angle_alpha   63.414
_cell_angle_beta   74.073
_cell_angle_gamma   90.892
_symmetry_Int_Tables_number   1
_cell_volume   338.794
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.089  0.810  0.822  1.0
  Ti  Ti3  1  0.090  0.369  0.822  1.0
  Ti  Ti4  1  0.910  0.631  0.178  1.0
  Ti  Ti5  1  0.911  0.190  0.178  1.0
  Ti  Ti6  1  0.757  1.000  0.000  1.0
  Ti  Ti7  1  0.243  0.000  0.000  1.0
  Cr  Cr8  1  0.350  0.350  0.300  1.0
  Cr  Cr9  1  0.650  0.650  0.700  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.000  0.500  0.500  1.0
  Ge  Ge12  1  0.210  0.710  0.581  1.0
  Ge  Ge13  1  0.790  0.290  0.419  1.0
  Ge  Ge14  1  0.738  0.498  0.000  1.0
  Ge  Ge15  1  0.262  0.502  0.000  1.0
  Ge  Ge16  1  0.173  0.173  0.654  1.0
  Ge  Ge17  1  0.827  0.827  0.346  1.0
  Ge  Ge18  1  0.399  0.090  0.217  1.0
  Ge  Ge19  1  0.384  0.693  0.217  1.0
  Ge  Ge20  1  0.616  0.307  0.783  1.0
  Ge  Ge21  1  0.601  0.910  0.783  1.0
[/CIF]
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