The compound described by Sm4Cu5P7 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I-42m space group. Sm(1) is bonded in a 8-coordinate geometry to one Cu(3), one P(2), two equivalent P(3), and four equivalent P(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing CuP4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing CuP4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Sm(1) and four equivalent P(3) atoms to form distorted corner-sharing CuSm4P4 hexagonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Sm(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent P(3) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to four equivalent Sm(1), two equivalent Cu(3), and two equivalent P(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4Cu5P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   10.552
_cell_angle_alpha   150.590
_cell_angle_beta   150.590
_cell_angle_gamma   42.076
_symmetry_Int_Tables_number   1
_cell_volume   282.607
_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
  Sm  Sm0  1  0.625  0.143  0.000  1.0
  Sm  Sm1  1  0.143  0.625  0.000  1.0
  Sm  Sm2  1  0.375  0.375  0.518  1.0
  Sm  Sm3  1  0.857  0.857  0.482  1.0
  Cu  Cu4  1  0.750  0.750  0.000  1.0
  Cu  Cu5  1  0.250  0.250  0.000  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  Cu  Cu7  1  0.750  0.250  0.500  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  P  P9  1  0.422  0.929  0.000  1.0
  P  P10  1  0.929  0.422  0.000  1.0
  P  P11  1  0.578  0.578  0.507  1.0
  P  P12  1  0.071  0.071  0.493  1.0
  P  P13  1  0.500  0.500  0.000  1.0
  P  P14  1  0.500  0.000  0.500  1.0
  P  P15  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by Sm4Cu5P7 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I-42m space group. Sm(1) is bonded in a 8-coordinate geometry to one Cu(3), one P(2), two equivalent P(3), and four equivalent P(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing CuP4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing CuP4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Sm(1) and four equivalent P(3) atoms to form distorted corner-sharing CuSm4P4 hexagonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Sm(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent P(3) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to four equivalent Sm(1), two equivalent Cu(3), and two equivalent P(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4Cu5P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   10.552
_cell_angle_alpha   150.590
_cell_angle_beta   150.590
_cell_angle_gamma   42.076
_symmetry_Int_Tables_number   1
_cell_volume   282.607
_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
  Sm  Sm0  1  0.625  0.143  0.000  1.0
  Sm  Sm1  1  0.143  0.625  0.000  1.0
  Sm  Sm2  1  0.375  0.375  0.518  1.0
  Sm  Sm3  1  0.857  0.857  0.482  1.0
  Cu  Cu4  1  0.750  0.750  0.000  1.0
  Cu  Cu5  1  0.250  0.250  0.000  1.0
  Cu  Cu6  1  0.250  0.750  0.500  1.0
  Cu  Cu7  1  0.750  0.250  0.500  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  P  P9  1  0.422  0.929  0.000  1.0
  P  P10  1  0.929  0.422  0.000  1.0
  P  P11  1  0.578  0.578  0.507  1.0
  P  P12  1  0.071  0.071  0.493  1.0
  P  P13  1  0.500  0.500  0.000  1.0
  P  P14  1  0.500  0.000  0.500  1.0
  P  P15  1  0.000  0.500  0.500  1.0
[/CIF]
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