The material described by La(Cu2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to two equivalent Cu(6), four equivalent Cu(2), four equivalent Cu(4), two equivalent P(2), and four equivalent P(1) atoms. In the second La site, La(2) is bonded in a 17-coordinate geometry to one Cu(2), one Cu(3), one Cu(6), two equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted water-like geometry to two equivalent La(2), four equivalent Cu(3), one P(2), and one P(3) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Cu(3), one P(1), and two equivalent P(2) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one La(2), one Cu(2), one Cu(3), one Cu(5), two equivalent Cu(6), four equivalent Cu(1), and two equivalent P(3) atoms. In the fourth Cu site, Cu(4) is bonded to two equivalent La(1), three equivalent La(2), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted corner, edge, and face-sharing CuLa5P4 tetrahedra. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to three equivalent La(2), one Cu(3), one P(1), one P(2), and two equivalent P(3) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), two equivalent Cu(3), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), one Cu(1), one Cu(5), two equivalent Cu(2), and two equivalent Cu(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent La(2), one Cu(1), one Cu(4), one Cu(6), two equivalent Cu(3), and two equivalent Cu(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Cu(2), one Cu(4), one Cu(5), and two equivalent Cu(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(Cu2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   11.052
_cell_length_c   14.685
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.711
_cell_formula_units_Z   6
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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.000  0.123  0.727  1.0
  La  La3  1  0.000  0.877  0.273  1.0
  La  La4  1  0.500  0.377  0.227  1.0
  La  La5  1  0.500  0.623  0.773  1.0
  Cu  Cu6  1  0.000  0.401  0.053  1.0
  Cu  Cu7  1  0.000  0.599  0.947  1.0
  Cu  Cu8  1  0.500  0.099  0.553  1.0
  Cu  Cu9  1  0.500  0.901  0.447  1.0
  Cu  Cu10  1  0.000  0.263  0.538  1.0
  Cu  Cu11  1  0.000  0.737  0.462  1.0
  Cu  Cu12  1  0.500  0.237  0.038  1.0
  Cu  Cu13  1  0.500  0.763  0.962  1.0
  Cu  Cu14  1  0.000  0.070  0.439  1.0
  Cu  Cu15  1  0.000  0.930  0.561  1.0
  Cu  Cu16  1  0.500  0.430  0.939  1.0
  Cu  Cu17  1  0.500  0.570  0.061  1.0
  Cu  Cu18  1  0.000  0.576  0.331  1.0
  Cu  Cu19  1  0.000  0.424  0.669  1.0
  Cu  Cu20  1  0.500  0.924  0.831  1.0
  Cu  Cu21  1  0.500  0.076  0.169  1.0
  Cu  Cu22  1  0.000  0.170  0.287  1.0
  Cu  Cu23  1  0.000  0.830  0.713  1.0
  Cu  Cu24  1  0.500  0.330  0.787  1.0
  Cu  Cu25  1  0.500  0.670  0.213  1.0
  Cu  Cu26  1  0.000  0.741  0.086  1.0
  Cu  Cu27  1  0.000  0.259  0.914  1.0
  Cu  Cu28  1  0.500  0.759  0.586  1.0
  Cu  Cu29  1  0.500  0.241  0.414  1.0
  P  P30  1  0.000  0.362  0.387  1.0
  P  P31  1  0.000  0.638  0.613  1.0
  P  P32  1  0.500  0.138  0.887  1.0
  P  P33  1  0.500  0.862  0.113  1.0
  P  P34  1  0.000  0.206  0.131  1.0
  P  P35  1  0.000  0.794  0.869  1.0
  P  P36  1  0.500  0.294  0.631  1.0
  P  P37  1  0.500  0.706  0.369  1.0
  P  P38  1  0.000  0.561  0.163  1.0
  P  P39  1  0.000  0.439  0.837  1.0
  P  P40  1  0.500  0.939  0.663  1.0
  P  P41  1  0.500  0.061  0.337  1.0
[/CIF]
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The material described by La(Cu2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to two equivalent Cu(6), four equivalent Cu(2), four equivalent Cu(4), two equivalent P(2), and four equivalent P(1) atoms. In the second La site, La(2) is bonded in a 17-coordinate geometry to one Cu(2), one Cu(3), one Cu(6), two equivalent Cu(1), three equivalent Cu(4), three equivalent Cu(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted water-like geometry to two equivalent La(2), four equivalent Cu(3), one P(2), and one P(3) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Cu(3), one P(1), and two equivalent P(2) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one La(2), one Cu(2), one Cu(3), one Cu(5), two equivalent Cu(6), four equivalent Cu(1), and two equivalent P(3) atoms. In the fourth Cu site, Cu(4) is bonded to two equivalent La(1), three equivalent La(2), one P(1), one P(3), and two equivalent P(2) atoms to form a mixture of distorted corner, edge, and face-sharing CuLa5P4 tetrahedra. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to three equivalent La(2), one Cu(3), one P(1), one P(2), and two equivalent P(3) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), two equivalent Cu(3), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one La(1), two equivalent La(2), one Cu(1), one Cu(5), two equivalent Cu(2), and two equivalent Cu(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent La(2), one Cu(1), one Cu(4), one Cu(6), two equivalent Cu(3), and two equivalent Cu(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Cu(2), one Cu(4), one Cu(5), and two equivalent Cu(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(Cu2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   11.052
_cell_length_c   14.685
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.711
_cell_formula_units_Z   6
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
  La  La0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.000  0.123  0.727  1.0
  La  La3  1  0.000  0.877  0.273  1.0
  La  La4  1  0.500  0.377  0.227  1.0
  La  La5  1  0.500  0.623  0.773  1.0
  Cu  Cu6  1  0.000  0.401  0.053  1.0
  Cu  Cu7  1  0.000  0.599  0.947  1.0
  Cu  Cu8  1  0.500  0.099  0.553  1.0
  Cu  Cu9  1  0.500  0.901  0.447  1.0
  Cu  Cu10  1  0.000  0.263  0.538  1.0
  Cu  Cu11  1  0.000  0.737  0.462  1.0
  Cu  Cu12  1  0.500  0.237  0.038  1.0
  Cu  Cu13  1  0.500  0.763  0.962  1.0
  Cu  Cu14  1  0.000  0.070  0.439  1.0
  Cu  Cu15  1  0.000  0.930  0.561  1.0
  Cu  Cu16  1  0.500  0.430  0.939  1.0
  Cu  Cu17  1  0.500  0.570  0.061  1.0
  Cu  Cu18  1  0.000  0.576  0.331  1.0
  Cu  Cu19  1  0.000  0.424  0.669  1.0
  Cu  Cu20  1  0.500  0.924  0.831  1.0
  Cu  Cu21  1  0.500  0.076  0.169  1.0
  Cu  Cu22  1  0.000  0.170  0.287  1.0
  Cu  Cu23  1  0.000  0.830  0.713  1.0
  Cu  Cu24  1  0.500  0.330  0.787  1.0
  Cu  Cu25  1  0.500  0.670  0.213  1.0
  Cu  Cu26  1  0.000  0.741  0.086  1.0
  Cu  Cu27  1  0.000  0.259  0.914  1.0
  Cu  Cu28  1  0.500  0.759  0.586  1.0
  Cu  Cu29  1  0.500  0.241  0.414  1.0
  P  P30  1  0.000  0.362  0.387  1.0
  P  P31  1  0.000  0.638  0.613  1.0
  P  P32  1  0.500  0.138  0.887  1.0
  P  P33  1  0.500  0.862  0.113  1.0
  P  P34  1  0.000  0.206  0.131  1.0
  P  P35  1  0.000  0.794  0.869  1.0
  P  P36  1  0.500  0.294  0.631  1.0
  P  P37  1  0.500  0.706  0.369  1.0
  P  P38  1  0.000  0.561  0.163  1.0
  P  P39  1  0.000  0.439  0.837  1.0
  P  P40  1  0.500  0.939  0.663  1.0
  P  P41  1  0.500  0.061  0.337  1.0
[/CIF]
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