The structure described by Tm2Fe12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent P(2) atoms. In the second Tm site, Tm(2) is bonded in a 15-coordinate geometry to three equivalent Fe(3), six equivalent Fe(1), and six equivalent P(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tm(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeTm2P4 tetrahedra that share corners with four equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra, corners with four equivalent Fe(3)TmP4 tetrahedra,  an edgeedge with one Fe(2)P4 tetrahedra, edges with two equivalent Fe(1)Tm2P4 tetrahedra, edges with two equivalent Fe(3)TmP4 tetrahedra, faces with two equivalent Fe(1)Tm2P4 tetrahedra, and faces with two equivalent Fe(3)TmP4 tetrahedra. In the second Fe site, Fe(2) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeP4 tetrahedra that share corners with two equivalent Fe(3)TmP4 tetrahedra, corners with four equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra,  an edgeedge with one Fe(1)Tm2P4 tetrahedra, and edges with two equivalent Fe(3)TmP4 tetrahedra. In the third Fe site, Fe(3) is bonded to one Tm(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeTmP4 tetrahedra that share corners with two equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra, corners with six equivalent Fe(3)TmP4 tetrahedra, edges with two equivalent Fe(2)P4 tetrahedra, edges with two equivalent Fe(1)Tm2P4 tetrahedra, and faces with two equivalent Fe(1)Tm2P4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Tm(2), one Fe(2), two equivalent Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(4) atoms. is represented by the CIF file [CIF]
data_Tm2Fe12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   3.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.453
_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
  Tm  Tm0  1  0.333  0.667  0.000  1.0
  Tm  Tm1  1  1.000  1.000  0.500  1.0
  Fe  Fe2  1  0.712  0.952  0.000  1.0
  Fe  Fe3  1  0.239  0.288  0.000  1.0
  Fe  Fe4  1  0.048  0.761  0.000  1.0
  Fe  Fe5  1  0.940  0.447  0.000  1.0
  Fe  Fe6  1  0.507  0.060  0.000  1.0
  Fe  Fe7  1  0.553  0.493  0.000  1.0
  Fe  Fe8  1  0.107  0.372  0.500  1.0
  Fe  Fe9  1  0.265  0.893  0.500  1.0
  Fe  Fe10  1  0.628  0.735  0.500  1.0
  Fe  Fe11  1  0.765  0.211  0.500  1.0
  Fe  Fe12  1  0.446  0.235  0.500  1.0
  Fe  Fe13  1  0.789  0.554  0.500  1.0
  P  P14  1  0.957  0.215  0.000  1.0
  P  P15  1  0.258  0.043  0.000  1.0
  P  P16  1  0.785  0.742  0.000  1.0
  P  P17  1  0.073  0.604  0.500  1.0
  P  P18  1  0.531  0.927  0.500  1.0
  P  P19  1  0.396  0.469  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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The structure described by Tm2Fe12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent P(2) atoms. In the second Tm site, Tm(2) is bonded in a 15-coordinate geometry to three equivalent Fe(3), six equivalent Fe(1), and six equivalent P(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Tm(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeTm2P4 tetrahedra that share corners with four equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra, corners with four equivalent Fe(3)TmP4 tetrahedra,  an edgeedge with one Fe(2)P4 tetrahedra, edges with two equivalent Fe(1)Tm2P4 tetrahedra, edges with two equivalent Fe(3)TmP4 tetrahedra, faces with two equivalent Fe(1)Tm2P4 tetrahedra, and faces with two equivalent Fe(3)TmP4 tetrahedra. In the second Fe site, Fe(2) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeP4 tetrahedra that share corners with two equivalent Fe(3)TmP4 tetrahedra, corners with four equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra,  an edgeedge with one Fe(1)Tm2P4 tetrahedra, and edges with two equivalent Fe(3)TmP4 tetrahedra. In the third Fe site, Fe(3) is bonded to one Tm(2), two equivalent P(1), and two equivalent P(2) atoms to form distorted FeTmP4 tetrahedra that share corners with two equivalent Fe(2)P4 tetrahedra, corners with four equivalent Fe(1)Tm2P4 tetrahedra, corners with six equivalent Fe(3)TmP4 tetrahedra, edges with two equivalent Fe(2)P4 tetrahedra, edges with two equivalent Fe(1)Tm2P4 tetrahedra, and faces with two equivalent Fe(1)Tm2P4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Tm(2), one Fe(2), two equivalent Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Tm(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Fe(2) and six equivalent Fe(4) atoms. is represented by the CIF file [CIF]
data_Tm2Fe12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   3.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.453
_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
  Tm  Tm0  1  0.333  0.667  0.000  1.0
  Tm  Tm1  1  1.000  1.000  0.500  1.0
  Fe  Fe2  1  0.712  0.952  0.000  1.0
  Fe  Fe3  1  0.239  0.288  0.000  1.0
  Fe  Fe4  1  0.048  0.761  0.000  1.0
  Fe  Fe5  1  0.940  0.447  0.000  1.0
  Fe  Fe6  1  0.507  0.060  0.000  1.0
  Fe  Fe7  1  0.553  0.493  0.000  1.0
  Fe  Fe8  1  0.107  0.372  0.500  1.0
  Fe  Fe9  1  0.265  0.893  0.500  1.0
  Fe  Fe10  1  0.628  0.735  0.500  1.0
  Fe  Fe11  1  0.765  0.211  0.500  1.0
  Fe  Fe12  1  0.446  0.235  0.500  1.0
  Fe  Fe13  1  0.789  0.554  0.500  1.0
  P  P14  1  0.957  0.215  0.000  1.0
  P  P15  1  0.258  0.043  0.000  1.0
  P  P16  1  0.785  0.742  0.000  1.0
  P  P17  1  0.073  0.604  0.500  1.0
  P  P18  1  0.531  0.927  0.500  1.0
  P  P19  1  0.396  0.469  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
.