The material structure described by CeMn7Ni5 crystallizes in the orthorhombic Imm2 space group. Ce(1) is bonded in a 20-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), eight equivalent Mn(1), one Ni(1), one Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Mn(2), two equivalent Mn(1), two equivalent Mn(3), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(3) atoms. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Mn(3), four equivalent Mn(1), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Mn(2), four equivalent Mn(1), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Mn(2), two equivalent Mn(3), four equivalent Mn(1), and one Ni(2) atom. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Ce(1), two equivalent Mn(3), four equivalent Mn(1), one Ni(1), two equivalent Ni(4), and four equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Ce(1), one Mn(2), two equivalent Mn(3), four equivalent Mn(1), one Ni(3), one Ni(4), and two equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Mn(3), four equivalent Mn(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_CeMn7Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   97.681
_cell_angle_beta   111.893
_cell_angle_gamma   68.107
_symmetry_Int_Tables_number   1
_cell_volume   167.489
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.008  0.992  0.008  1.0
  Mn  Mn1  1  0.504  1.000  0.504  1.0
  Mn  Mn2  1  0.000  1.000  0.504  1.0
  Mn  Mn3  1  0.504  0.496  0.000  1.0
  Mn  Mn4  1  0.000  0.496  0.000  1.0
  Mn  Mn5  1  0.268  0.232  0.768  1.0
  Mn  Mn6  1  0.502  0.763  0.766  1.0
  Mn  Mn7  1  0.502  0.234  0.237  1.0
  Ni  Ni8  1  0.651  0.349  0.651  1.0
  Ni  Ni9  1  0.351  0.649  0.351  1.0
  Ni  Ni10  1  0.996  0.358  0.351  1.0
  Ni  Ni11  1  0.996  0.649  0.642  1.0
  Ni  Ni12  1  0.716  0.784  0.216  1.0
[/CIF]
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The material structure described by CeMn7Ni5 crystallizes in the orthorhombic Imm2 space group. Ce(1) is bonded in a 20-coordinate geometry to two equivalent Mn(2), four equivalent Mn(3), eight equivalent Mn(1), one Ni(1), one Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Mn(2), two equivalent Mn(1), two equivalent Mn(3), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(3) atoms. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Mn(3), four equivalent Mn(1), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Mn(2), four equivalent Mn(1), one Ni(1), one Ni(2), one Ni(4), and two equivalent Ni(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Mn(2), two equivalent Mn(3), four equivalent Mn(1), and one Ni(2) atom. In the second Ni site, Ni(2) is bonded in a 14-coordinate geometry to one Ce(1), two equivalent Mn(3), four equivalent Mn(1), one Ni(1), two equivalent Ni(4), and four equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Ce(1), one Mn(2), two equivalent Mn(3), four equivalent Mn(1), one Ni(3), one Ni(4), and two equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ce(1), two equivalent Mn(3), four equivalent Mn(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_CeMn7Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   6.390
_cell_length_c   6.390
_cell_angle_alpha   97.681
_cell_angle_beta   111.893
_cell_angle_gamma   68.107
_symmetry_Int_Tables_number   1
_cell_volume   167.489
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.008  0.992  0.008  1.0
  Mn  Mn1  1  0.504  1.000  0.504  1.0
  Mn  Mn2  1  0.000  1.000  0.504  1.0
  Mn  Mn3  1  0.504  0.496  0.000  1.0
  Mn  Mn4  1  0.000  0.496  0.000  1.0
  Mn  Mn5  1  0.268  0.232  0.768  1.0
  Mn  Mn6  1  0.502  0.763  0.766  1.0
  Mn  Mn7  1  0.502  0.234  0.237  1.0
  Ni  Ni8  1  0.651  0.349  0.651  1.0
  Ni  Ni9  1  0.351  0.649  0.351  1.0
  Ni  Ni10  1  0.996  0.358  0.351  1.0
  Ni  Ni11  1  0.996  0.649  0.642  1.0
  Ni  Ni12  1  0.716  0.784  0.216  1.0
[/CIF]
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