The material described by Ca2Ni3Ge2 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), four equivalent Ni(2), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face and corner-sharing NiCa4Ni4Ge4 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ni(2), two equivalent Ni(1), one 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 Ca(1), four equivalent Ca(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Ge site, Ge(2) is bonded in a 12-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ni3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   7.029
_cell_length_c   9.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.767
_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
  Ca  Ca0  1  0.000  0.831  0.250  1.0
  Ca  Ca1  1  0.000  0.169  0.750  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.185  0.250  1.0
  Ni  Ni5  1  0.500  0.815  0.750  1.0
  Ni  Ni6  1  0.000  0.153  0.073  1.0
  Ni  Ni7  1  0.000  0.847  0.927  1.0
  Ni  Ni8  1  0.000  0.153  0.427  1.0
  Ni  Ni9  1  0.000  0.847  0.573  1.0
  Ge  Ge10  1  0.000  0.400  0.250  1.0
  Ge  Ge11  1  0.000  0.600  0.750  1.0
  Ge  Ge12  1  0.500  0.000  0.000  1.0
  Ge  Ge13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Ca2Ni3Ge2 crystallizes in the orthorhombic Pmma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), four equivalent Ni(2), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted face and corner-sharing NiCa4Ni4Ge4 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ni(2), two equivalent Ni(1), one 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 Ca(1), four equivalent Ca(2), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Ge site, Ge(2) is bonded in a 12-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ni3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.993
_cell_length_b   7.029
_cell_length_c   9.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.767
_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
  Ca  Ca0  1  0.000  0.831  0.250  1.0
  Ca  Ca1  1  0.000  0.169  0.750  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.185  0.250  1.0
  Ni  Ni5  1  0.500  0.815  0.750  1.0
  Ni  Ni6  1  0.000  0.153  0.073  1.0
  Ni  Ni7  1  0.000  0.847  0.927  1.0
  Ni  Ni8  1  0.000  0.153  0.427  1.0
  Ni  Ni9  1  0.000  0.847  0.573  1.0
  Ge  Ge10  1  0.000  0.400  0.250  1.0
  Ge  Ge11  1  0.000  0.600  0.750  1.0
  Ge  Ge12  1  0.500  0.000  0.000  1.0
  Ge  Ge13  1  0.500  0.000  0.500  1.0
[/CIF]
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