The material structure described by Ba(Cu2P)4 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to four equivalent P(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), three equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Ba(Cu2P)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.845
_cell_length_b   7.428
_cell_length_c   7.428
_cell_angle_alpha   86.160
_cell_angle_beta   75.001
_cell_angle_gamma   75.001
_symmetry_Int_Tables_number   1
_cell_volume   197.913
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.660  0.110  0.569  1.0
  Cu  Cu2  1  0.771  0.569  0.890  1.0
  Cu  Cu3  1  0.635  0.378  0.352  1.0
  Cu  Cu4  1  0.365  0.622  0.648  1.0
  Cu  Cu5  1  0.987  0.648  0.378  1.0
  Cu  Cu6  1  0.229  0.431  0.110  1.0
  Cu  Cu7  1  0.013  0.352  0.622  1.0
  Cu  Cu8  1  0.340  0.890  0.431  1.0
  P  P9  1  0.768  0.809  0.656  1.0
  P  P10  1  0.232  0.191  0.344  1.0
  P  P11  1  0.423  0.344  0.809  1.0
  P  P12  1  0.577  0.656  0.191  1.0
[/CIF]
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The material structure described by Ba(Cu2P)4 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to four equivalent P(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), three equivalent Cu(2), and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Ba(Cu2P)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.845
_cell_length_b   7.428
_cell_length_c   7.428
_cell_angle_alpha   86.160
_cell_angle_beta   75.001
_cell_angle_gamma   75.001
_symmetry_Int_Tables_number   1
_cell_volume   197.913
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.660  0.110  0.569  1.0
  Cu  Cu2  1  0.771  0.569  0.890  1.0
  Cu  Cu3  1  0.635  0.378  0.352  1.0
  Cu  Cu4  1  0.365  0.622  0.648  1.0
  Cu  Cu5  1  0.987  0.648  0.378  1.0
  Cu  Cu6  1  0.229  0.431  0.110  1.0
  Cu  Cu7  1  0.013  0.352  0.622  1.0
  Cu  Cu8  1  0.340  0.890  0.431  1.0
  P  P9  1  0.768  0.809  0.656  1.0
  P  P10  1  0.232  0.191  0.344  1.0
  P  P11  1  0.423  0.344  0.809  1.0
  P  P12  1  0.577  0.656  0.191  1.0
[/CIF]
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