The material structure described by Ce2(MnCu3)3 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), one Cu(1), and six equivalent Cu(3) atoms to form distorted CeMn5Cu7 cuboctahedra that share edges with four equivalent Ce(2)Mn4Cu8 cuboctahedra, edges with four equivalent Ce(1)Mn5Cu7 cuboctahedra, and faces with two equivalent Ce(1)Mn5Cu7 cuboctahedra. In the second Ce site, Ce(2) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CeMn4Cu8 cuboctahedra that share edges with four equivalent Ce(2)Mn4Cu8 cuboctahedra, edges with four equivalent Ce(1)Mn5Cu7 cuboctahedra, and faces with two equivalent Ce(2)Mn4Cu8 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Mn(3), two equivalent Cu(2), and four equivalent Cu(4) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(3), and four equivalent Cu(5) atoms. In the third Mn site, Mn(3) is bonded in a 11-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Mn(1), two equivalent Cu(3), and four equivalent Cu(4) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Mn(2), two equivalent Cu(2), and four equivalent Cu(5) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to three equivalent Ce(2), one Mn(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Mn(2), one Mn(3), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2(MnCu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.283
_cell_length_c   8.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.400
_symmetry_Int_Tables_number   1
_cell_volume   204.493
_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  0.000  0.000  0.004  1.0
  Ce  Ce1  1  0.500  0.500  0.498  1.0
  Mn  Mn2  1  0.000  0.000  0.302  1.0
  Mn  Mn3  1  0.500  0.500  0.808  1.0
  Mn  Mn4  1  0.500  0.500  0.192  1.0
  Cu  Cu5  1  0.000  0.000  0.692  1.0
  Cu  Cu6  1  0.193  0.807  0.501  1.0
  Cu  Cu7  1  0.696  0.304  0.000  1.0
  Cu  Cu8  1  0.304  0.696  0.000  1.0
  Cu  Cu9  1  0.807  0.193  0.501  1.0
  Cu  Cu10  1  0.500  0.000  0.251  1.0
  Cu  Cu11  1  0.000  0.500  0.749  1.0
  Cu  Cu12  1  0.000  0.500  0.251  1.0
  Cu  Cu13  1  0.500  0.000  0.749  1.0
[/CIF]
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The material structure described by Ce2(MnCu3)3 crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), one Cu(1), and six equivalent Cu(3) atoms to form distorted CeMn5Cu7 cuboctahedra that share edges with four equivalent Ce(2)Mn4Cu8 cuboctahedra, edges with four equivalent Ce(1)Mn5Cu7 cuboctahedra, and faces with two equivalent Ce(1)Mn5Cu7 cuboctahedra. In the second Ce site, Ce(2) is bonded to one Mn(2), one Mn(3), two equivalent Mn(1), two equivalent Cu(1), and six equivalent Cu(2) atoms to form distorted CeMn4Cu8 cuboctahedra that share edges with four equivalent Ce(2)Mn4Cu8 cuboctahedra, edges with four equivalent Ce(1)Mn5Cu7 cuboctahedra, and faces with two equivalent Ce(2)Mn4Cu8 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Mn(3), two equivalent Cu(2), and four equivalent Cu(4) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(3), and four equivalent Cu(5) atoms. In the third Mn site, Mn(3) is bonded in a 11-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Mn(1), two equivalent Cu(3), and four equivalent Cu(4) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent Mn(2), two equivalent Cu(2), and four equivalent Cu(5) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to three equivalent Ce(2), one Mn(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third Cu site, Cu(3) is bonded in a 11-coordinate geometry to three equivalent Ce(1), one Mn(2), one Mn(3), two equivalent Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to two equivalent Mn(1), two equivalent Mn(3), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), and two equivalent Cu(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2(MnCu3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.283
_cell_length_c   8.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.400
_symmetry_Int_Tables_number   1
_cell_volume   204.493
_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  0.000  0.000  0.004  1.0
  Ce  Ce1  1  0.500  0.500  0.498  1.0
  Mn  Mn2  1  0.000  0.000  0.302  1.0
  Mn  Mn3  1  0.500  0.500  0.808  1.0
  Mn  Mn4  1  0.500  0.500  0.192  1.0
  Cu  Cu5  1  0.000  0.000  0.692  1.0
  Cu  Cu6  1  0.193  0.807  0.501  1.0
  Cu  Cu7  1  0.696  0.304  0.000  1.0
  Cu  Cu8  1  0.304  0.696  0.000  1.0
  Cu  Cu9  1  0.807  0.193  0.501  1.0
  Cu  Cu10  1  0.500  0.000  0.251  1.0
  Cu  Cu11  1  0.000  0.500  0.749  1.0
  Cu  Cu12  1  0.000  0.500  0.251  1.0
  Cu  Cu13  1  0.500  0.000  0.749  1.0
[/CIF]
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