The structure described by Ba(CuP)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded to six equivalent Cu(1) and two equivalent P(1) atoms to form edge-sharing BaCu6P2 hexagonal bipyramids. Cu(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), one Cu(1), and one P(1) atom. P(1) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Ba(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   12.237
_cell_length_c   11.428
_cell_angle_alpha   87.051
_cell_angle_beta   76.424
_cell_angle_gamma   77.337
_symmetry_Int_Tables_number   1
_cell_volume   711.520
_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
  Ba  Ba0  1  0.375  0.250  0.250  1.0
  Ba  Ba1  1  0.375  0.750  0.250  1.0
  Ba  Ba2  1  0.375  0.250  0.750  1.0
  Ba  Ba3  1  0.875  0.750  0.750  1.0
  Cu  Cu4  1  0.026  0.275  0.050  1.0
  Cu  Cu5  1  0.924  0.725  0.050  1.0
  Cu  Cu6  1  0.699  0.275  0.950  1.0
  Cu  Cu7  1  0.724  0.225  0.450  1.0
  Cu  Cu8  1  0.351  0.725  0.950  1.0
  Cu  Cu9  1  0.826  0.775  0.450  1.0
  Cu  Cu10  1  0.051  0.225  0.550  1.0
  Cu  Cu11  1  0.399  0.775  0.550  1.0
  P  P12  1  0.775  0.563  0.087  1.0
  P  P13  1  0.138  0.437  0.087  1.0
  P  P14  1  0.663  0.563  0.913  1.0
  P  P15  1  0.975  0.937  0.413  1.0
  P  P16  1  0.424  0.437  0.913  1.0
  P  P17  1  0.612  0.063  0.413  1.0
  P  P18  1  0.087  0.937  0.587  1.0
  P  P19  1  0.326  0.063  0.587  1.0
[/CIF]
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The structure described by Ba(CuP)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded to six equivalent Cu(1) and two equivalent P(1) atoms to form edge-sharing BaCu6P2 hexagonal bipyramids. Cu(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1), one Cu(1), and one P(1) atom. P(1) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(1), and two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_Ba(CuP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   12.237
_cell_length_c   11.428
_cell_angle_alpha   87.051
_cell_angle_beta   76.424
_cell_angle_gamma   77.337
_symmetry_Int_Tables_number   1
_cell_volume   711.520
_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
  Ba  Ba0  1  0.375  0.250  0.250  1.0
  Ba  Ba1  1  0.375  0.750  0.250  1.0
  Ba  Ba2  1  0.375  0.250  0.750  1.0
  Ba  Ba3  1  0.875  0.750  0.750  1.0
  Cu  Cu4  1  0.026  0.275  0.050  1.0
  Cu  Cu5  1  0.924  0.725  0.050  1.0
  Cu  Cu6  1  0.699  0.275  0.950  1.0
  Cu  Cu7  1  0.724  0.225  0.450  1.0
  Cu  Cu8  1  0.351  0.725  0.950  1.0
  Cu  Cu9  1  0.826  0.775  0.450  1.0
  Cu  Cu10  1  0.051  0.225  0.550  1.0
  Cu  Cu11  1  0.399  0.775  0.550  1.0
  P  P12  1  0.775  0.563  0.087  1.0
  P  P13  1  0.138  0.437  0.087  1.0
  P  P14  1  0.663  0.563  0.913  1.0
  P  P15  1  0.975  0.937  0.413  1.0
  P  P16  1  0.424  0.437  0.913  1.0
  P  P17  1  0.612  0.063  0.413  1.0
  P  P18  1  0.087  0.937  0.587  1.0
  P  P19  1  0.326  0.063  0.587  1.0
[/CIF]
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