The structure described by Ca4Fe3PtAs8 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. In the second Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the third Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the fourth Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded to four equivalent As(3) atoms to form FeAs4 tetrahedra that share corners with eight Ca(2,2)As8 cuboctahedra; corners with four equivalent Fe(1,3)As4 tetrahedra; edges with four Ca(2,2)As8 cuboctahedra; and edges with four equivalent Fe(1,3)As4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four Ca(1,1); four equivalent Pt(1); and four equivalent As(4) atoms. Pt(1) is bonded to four Ca(1,1); four equivalent Fe(2); and four equivalent As(4) atoms to form a mixture of distorted corner and face-sharing PtCa4Fe4As4 cuboctahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Fe(1,3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Fe(2), and two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Ca4Fe3As8Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   20.290
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.529
_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
  Ca  Ca0  1  0.500  0.000  0.136  1.0
  Ca  Ca1  1  0.500  0.000  0.631  1.0
  Ca  Ca2  1  0.000  0.500  0.369  1.0
  Ca  Ca3  1  0.000  0.500  0.864  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.251  1.0
  As  As8  1  0.500  0.500  0.749  1.0
  As  As9  1  0.000  0.000  0.252  1.0
  As  As10  1  0.000  0.000  0.748  1.0
  As  As11  1  0.500  0.000  0.438  1.0
  As  As12  1  0.500  0.000  0.928  1.0
  As  As13  1  0.000  0.500  0.072  1.0
  As  As14  1  0.000  0.500  0.562  1.0
  Pt  Pt15  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Ca4Fe3PtAs8 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal P-4m2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. In the second Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the third Ca site, Ca(2) is bonded to two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted CaAs8 cuboctahedra that share corners with four equivalent Ca(2)As8 cuboctahedra; corners with eight equivalent Fe(1,3)As4 tetrahedra; edges with four equivalent Fe(1,3)As4 tetrahedra; and faces with four equivalent Ca(2)As8 cuboctahedra. In the fourth Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Pt(1), two equivalent As(1), two equivalent As(2), and four equivalent As(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded to four equivalent As(3) atoms to form FeAs4 tetrahedra that share corners with eight Ca(2,2)As8 cuboctahedra; corners with four equivalent Fe(1,3)As4 tetrahedra; edges with four Ca(2,2)As8 cuboctahedra; and edges with four equivalent Fe(1,3)As4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four Ca(1,1); four equivalent Pt(1); and four equivalent As(4) atoms. Pt(1) is bonded to four Ca(1,1); four equivalent Fe(2); and four equivalent As(4) atoms to form a mixture of distorted corner and face-sharing PtCa4Fe4As4 cuboctahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent As(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Fe(1,3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Fe(2), and two equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Ca4Fe3As8Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.937
_cell_length_b   3.937
_cell_length_c   20.290
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.529
_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
  Ca  Ca0  1  0.500  0.000  0.136  1.0
  Ca  Ca1  1  0.500  0.000  0.631  1.0
  Ca  Ca2  1  0.000  0.500  0.369  1.0
  Ca  Ca3  1  0.000  0.500  0.864  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  As  As7  1  0.500  0.500  0.251  1.0
  As  As8  1  0.500  0.500  0.749  1.0
  As  As9  1  0.000  0.000  0.252  1.0
  As  As10  1  0.000  0.000  0.748  1.0
  As  As11  1  0.500  0.000  0.438  1.0
  As  As12  1  0.500  0.000  0.928  1.0
  As  As13  1  0.000  0.500  0.072  1.0
  As  As14  1  0.000  0.500  0.562  1.0
  Pt  Pt15  1  0.500  0.500  0.000  1.0
[/CIF]
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