The structure described by Sr2Cu6P5 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent P(2), and four equivalent P(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Sr(1) and four equivalent P(3) atoms to form a mixture of distorted face and edge-sharing CuSr4P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), four equivalent Cu(1), and one P(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), four equivalent Cu(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Sr2Cu6P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   4.106
_cell_length_c   12.653
_cell_angle_alpha   99.337
_cell_angle_beta   99.337
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.576
_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
  Sr  Sr0  1  0.649  0.649  0.298  1.0
  Sr  Sr1  1  0.351  0.351  0.702  1.0
  Cu  Cu2  1  0.948  0.448  0.896  1.0
  Cu  Cu3  1  0.448  0.948  0.896  1.0
  Cu  Cu4  1  0.052  0.552  0.104  1.0
  Cu  Cu5  1  0.552  0.052  0.104  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  Cu  Cu7  1  0.750  0.250  0.500  1.0
  P  P8  1  0.500  0.500  0.000  1.0
  P  P9  1  0.896  0.896  0.792  1.0
  P  P10  1  0.104  0.104  0.208  1.0
  P  P11  1  0.802  0.802  0.603  1.0
  P  P12  1  0.198  0.198  0.397  1.0
[/CIF]
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The structure described by Sr2Cu6P5 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), four equivalent P(2), and four equivalent P(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Sr(1) and four equivalent P(3) atoms to form a mixture of distorted face and edge-sharing CuSr4P4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), four equivalent Cu(1), and one P(3) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), four equivalent Cu(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Sr2Cu6P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   4.106
_cell_length_c   12.653
_cell_angle_alpha   99.337
_cell_angle_beta   99.337
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.576
_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
  Sr  Sr0  1  0.649  0.649  0.298  1.0
  Sr  Sr1  1  0.351  0.351  0.702  1.0
  Cu  Cu2  1  0.948  0.448  0.896  1.0
  Cu  Cu3  1  0.448  0.948  0.896  1.0
  Cu  Cu4  1  0.052  0.552  0.104  1.0
  Cu  Cu5  1  0.552  0.052  0.104  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  Cu  Cu7  1  0.750  0.250  0.500  1.0
  P  P8  1  0.500  0.500  0.000  1.0
  P  P9  1  0.896  0.896  0.792  1.0
  P  P10  1  0.104  0.104  0.208  1.0
  P  P11  1  0.802  0.802  0.603  1.0
  P  P12  1  0.198  0.198  0.397  1.0
[/CIF]
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