The material structure described by ErCuP2 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. Cu(1) is bonded to four equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing CuP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to four equivalent Er(1) and two equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Er(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ErCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.686
_cell_length_b   3.712
_cell_length_c   19.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   264.325
_cell_formula_units_Z   4
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
  Er  Er0  1  0.250  0.722  0.383  1.0
  Er  Er1  1  0.250  0.778  0.883  1.0
  Er  Er2  1  0.750  0.278  0.617  1.0
  Er  Er3  1  0.750  0.222  0.117  1.0
  Cu  Cu4  1  0.250  0.223  0.250  1.0
  Cu  Cu5  1  0.750  0.777  0.750  1.0
  Cu  Cu6  1  0.250  0.277  0.750  1.0
  Cu  Cu7  1  0.750  0.723  0.250  1.0
  P  P8  1  0.750  0.804  0.501  1.0
  P  P9  1  0.750  0.696  0.001  1.0
  P  P10  1  0.250  0.196  0.499  1.0
  P  P11  1  0.250  0.304  0.999  1.0
  P  P12  1  0.250  0.722  0.172  1.0
  P  P13  1  0.750  0.222  0.328  1.0
  P  P14  1  0.750  0.278  0.828  1.0
  P  P15  1  0.250  0.778  0.672  1.0
[/CIF]
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The material structure described by ErCuP2 crystallizes in the orthorhombic Pnma space group. Er(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. Cu(1) is bonded to four equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing CuP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to four equivalent Er(1) and two equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Er(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_ErCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.686
_cell_length_b   3.712
_cell_length_c   19.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   264.325
_cell_formula_units_Z   4
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
  Er  Er0  1  0.250  0.722  0.383  1.0
  Er  Er1  1  0.250  0.778  0.883  1.0
  Er  Er2  1  0.750  0.278  0.617  1.0
  Er  Er3  1  0.750  0.222  0.117  1.0
  Cu  Cu4  1  0.250  0.223  0.250  1.0
  Cu  Cu5  1  0.750  0.777  0.750  1.0
  Cu  Cu6  1  0.250  0.277  0.750  1.0
  Cu  Cu7  1  0.750  0.723  0.250  1.0
  P  P8  1  0.750  0.804  0.501  1.0
  P  P9  1  0.750  0.696  0.001  1.0
  P  P10  1  0.250  0.196  0.499  1.0
  P  P11  1  0.250  0.304  0.999  1.0
  P  P12  1  0.250  0.722  0.172  1.0
  P  P13  1  0.750  0.222  0.328  1.0
  P  P14  1  0.750  0.278  0.828  1.0
  P  P15  1  0.250  0.778  0.672  1.0
[/CIF]
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