The material structure described by Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent Cu(1) and eight equivalent P(1) atoms. Cu(1) is bonded to two equivalent Ba(1) and four equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing CuBa2P4 tetrahedra. P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Cu(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Ba(CuP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.796
_cell_length_c   9.848
_cell_angle_alpha   82.556
_cell_angle_beta   73.971
_cell_angle_gamma   62.018
_symmetry_Int_Tables_number   1
_cell_volume   263.443
_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
  Ba  Ba0  1  0.125  0.750  0.750  1.0
  Ba  Ba1  1  0.875  0.250  0.250  1.0
  Cu  Cu2  1  0.253  0.250  0.494  1.0
  Cu  Cu3  1  0.747  0.750  0.506  1.0
  Cu  Cu4  1  0.497  0.250  0.006  1.0
  Cu  Cu5  1  0.503  0.750  0.994  1.0
  P  P6  1  0.828  0.369  0.858  1.0
  P  P7  1  0.313  0.131  0.858  1.0
  P  P8  1  0.444  0.869  0.358  1.0
  P  P9  1  0.556  0.131  0.642  1.0
  P  P10  1  0.198  0.631  0.358  1.0
  P  P11  1  0.687  0.869  0.142  1.0
  P  P12  1  0.802  0.369  0.642  1.0
  P  P13  1  0.172  0.631  0.142  1.0
[/CIF]
.
The material structure described by Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent Cu(1) and eight equivalent P(1) atoms. Cu(1) is bonded to two equivalent Ba(1) and four equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing CuBa2P4 tetrahedra. P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Cu(1), and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Ba(CuP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.796
_cell_length_c   9.848
_cell_angle_alpha   82.556
_cell_angle_beta   73.971
_cell_angle_gamma   62.018
_symmetry_Int_Tables_number   1
_cell_volume   263.443
_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
  Ba  Ba0  1  0.125  0.750  0.750  1.0
  Ba  Ba1  1  0.875  0.250  0.250  1.0
  Cu  Cu2  1  0.253  0.250  0.494  1.0
  Cu  Cu3  1  0.747  0.750  0.506  1.0
  Cu  Cu4  1  0.497  0.250  0.006  1.0
  Cu  Cu5  1  0.503  0.750  0.994  1.0
  P  P6  1  0.828  0.369  0.858  1.0
  P  P7  1  0.313  0.131  0.858  1.0
  P  P8  1  0.444  0.869  0.358  1.0
  P  P9  1  0.556  0.131  0.642  1.0
  P  P10  1  0.198  0.631  0.358  1.0
  P  P11  1  0.687  0.869  0.142  1.0
  P  P12  1  0.802  0.369  0.642  1.0
  P  P13  1  0.172  0.631  0.142  1.0
[/CIF]
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