The crystal structure described by Sm6Fe6As6O5F crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), one O(3), and two equivalent O(2) atoms. In the second Sm site, Sm(2) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(4), one O(1), two equivalent O(2), and one F(1) atom. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(2), two equivalent O(3), and one F(1) atom. In the fourth Sm site, Sm(4) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(4), one O(1), two equivalent O(3), and one F(1) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(2), one As(3), and two equivalent As(4) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(1), one As(3), and two equivalent As(4) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), one Fe(2), one Fe(4), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Fe(2), one Fe(3), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sm(2), one Sm(4), and two equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with two equivalent O(2)Sm4 tetrahedra, corners with two equivalent F(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4 tetrahedra, and edges with two equivalent O(3)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(3), and two equivalent Sm(1) atoms to form OSm4 tetrahedra that share  a cornercorner with one O(1)Sm4 tetrahedra,  a cornercorner with one O(2)Sm4 tetrahedra, corners with two equivalent O(3)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm4 tetrahedra, and  an edgeedge with one F(1)Sm4 tetrahedra. In the third O site, O(3) is bonded to one Sm(1), one Sm(4), and two equivalent Sm(3) atoms to form OSm4 tetrahedra that share  a cornercorner with one O(3)Sm4 tetrahedra,  a cornercorner with one F(1)Sm4 tetrahedra, corners with two equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm4 tetrahedra, and  an edgeedge with one F(1)Sm4 tetrahedra. F(1) is bonded to one Sm(2), one Sm(4), and two equivalent Sm(3) atoms to form FSm4 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with two equivalent O(3)Sm4 tetrahedra, edges with two equivalent O(2)Sm4 tetrahedra, and edges with two equivalent O(3)Sm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm6Fe6As6O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.017
_cell_length_b   8.032
_cell_length_c   9.931
_cell_angle_alpha   66.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   877.148
_cell_formula_units_Z   2
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  0.083  0.311  0.128  1.0
  Sm  Sm1  1  0.417  0.311  0.128  1.0
  Sm  Sm2  1  0.750  0.321  0.132  1.0
  Sm  Sm3  1  0.074  0.807  0.135  1.0
  Sm  Sm4  1  0.426  0.807  0.135  1.0
  Sm  Sm5  1  0.750  0.795  0.136  1.0
  Sm  Sm6  1  0.250  0.679  0.868  1.0
  Sm  Sm7  1  0.583  0.689  0.872  1.0
  Sm  Sm8  1  0.917  0.689  0.872  1.0
  Sm  Sm9  1  0.250  0.205  0.864  1.0
  Sm  Sm10  1  0.574  0.193  0.865  1.0
  Sm  Sm11  1  0.926  0.193  0.865  1.0
  Fe  Fe12  1  0.083  0.371  0.500  1.0
  Fe  Fe13  1  0.417  0.371  0.500  1.0
  Fe  Fe14  1  0.750  0.374  0.504  1.0
  Fe  Fe15  1  0.250  0.626  0.496  1.0
  Fe  Fe16  1  0.583  0.629  0.500  1.0
  Fe  Fe17  1  0.917  0.629  0.500  1.0
  Fe  Fe18  1  0.083  0.879  0.498  1.0
  Fe  Fe19  1  0.417  0.879  0.498  1.0
  Fe  Fe20  1  0.750  0.874  0.503  1.0
  Fe  Fe21  1  0.250  0.126  0.497  1.0
  Fe  Fe22  1  0.583  0.121  0.502  1.0
  Fe  Fe23  1  0.917  0.121  0.502  1.0
  As  As24  1  0.250  0.469  0.314  1.0
  As  As25  1  0.585  0.466  0.318  1.0
  As  As26  1  0.915  0.466  0.318  1.0
  As  As27  1  0.085  0.534  0.682  1.0
  As  As28  1  0.415  0.534  0.682  1.0
  As  As29  1  0.750  0.531  0.686  1.0
  As  As30  1  0.250  0.967  0.313  1.0
  As  As31  1  0.586  0.970  0.313  1.0
  As  As32  1  0.914  0.970  0.313  1.0
  As  As33  1  0.086  0.030  0.687  1.0
  As  As34  1  0.414  0.030  0.687  1.0
  As  As35  1  0.750  0.033  0.687  1.0
  O  O36  1  0.250  0.375  0.999  1.0
  O  O37  1  0.585  0.372  0.998  1.0
  O  O38  1  0.915  0.372  0.998  1.0
  O  O39  1  0.085  0.628  0.002  1.0
  O  O40  1  0.415  0.628  0.002  1.0
  O  O41  1  0.750  0.625  0.001  1.0
  O  O42  1  0.587  0.879  0.002  1.0
  O  O43  1  0.913  0.879  0.002  1.0
  O  O44  1  0.087  0.121  0.998  1.0
  O  O45  1  0.413  0.121  0.998  1.0
  F  F46  1  0.250  0.874  0.001  1.0
  F  F47  1  0.750  0.126  0.999  1.0
[/CIF]
.
The crystal structure described by Sm6Fe6As6O5F crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), one O(3), and two equivalent O(2) atoms. In the second Sm site, Sm(2) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(4), one O(1), two equivalent O(2), and one F(1) atom. In the third Sm site, Sm(3) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(2), two equivalent O(3), and one F(1) atom. In the fourth Sm site, Sm(4) is bonded in a 4-coordinate geometry to two equivalent As(2), two equivalent As(4), one O(1), two equivalent O(3), and one F(1) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(2), one As(3), and two equivalent As(4) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(1), one As(3), and two equivalent As(4) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), one Fe(2), one Fe(4), and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Fe(2), one Fe(3), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Sm(4), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sm(2), one Sm(4), and two equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with two equivalent O(2)Sm4 tetrahedra, corners with two equivalent F(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm4 tetrahedra, and edges with two equivalent O(3)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(3), and two equivalent Sm(1) atoms to form OSm4 tetrahedra that share  a cornercorner with one O(1)Sm4 tetrahedra,  a cornercorner with one O(2)Sm4 tetrahedra, corners with two equivalent O(3)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm4 tetrahedra, and  an edgeedge with one F(1)Sm4 tetrahedra. In the third O site, O(3) is bonded to one Sm(1), one Sm(4), and two equivalent Sm(3) atoms to form OSm4 tetrahedra that share  a cornercorner with one O(3)Sm4 tetrahedra,  a cornercorner with one F(1)Sm4 tetrahedra, corners with two equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm4 tetrahedra, and  an edgeedge with one F(1)Sm4 tetrahedra. F(1) is bonded to one Sm(2), one Sm(4), and two equivalent Sm(3) atoms to form FSm4 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with two equivalent O(3)Sm4 tetrahedra, edges with two equivalent O(2)Sm4 tetrahedra, and edges with two equivalent O(3)Sm4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm6Fe6As6O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.017
_cell_length_b   8.032
_cell_length_c   9.931
_cell_angle_alpha   66.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   877.148
_cell_formula_units_Z   2
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  0.083  0.311  0.128  1.0
  Sm  Sm1  1  0.417  0.311  0.128  1.0
  Sm  Sm2  1  0.750  0.321  0.132  1.0
  Sm  Sm3  1  0.074  0.807  0.135  1.0
  Sm  Sm4  1  0.426  0.807  0.135  1.0
  Sm  Sm5  1  0.750  0.795  0.136  1.0
  Sm  Sm6  1  0.250  0.679  0.868  1.0
  Sm  Sm7  1  0.583  0.689  0.872  1.0
  Sm  Sm8  1  0.917  0.689  0.872  1.0
  Sm  Sm9  1  0.250  0.205  0.864  1.0
  Sm  Sm10  1  0.574  0.193  0.865  1.0
  Sm  Sm11  1  0.926  0.193  0.865  1.0
  Fe  Fe12  1  0.083  0.371  0.500  1.0
  Fe  Fe13  1  0.417  0.371  0.500  1.0
  Fe  Fe14  1  0.750  0.374  0.504  1.0
  Fe  Fe15  1  0.250  0.626  0.496  1.0
  Fe  Fe16  1  0.583  0.629  0.500  1.0
  Fe  Fe17  1  0.917  0.629  0.500  1.0
  Fe  Fe18  1  0.083  0.879  0.498  1.0
  Fe  Fe19  1  0.417  0.879  0.498  1.0
  Fe  Fe20  1  0.750  0.874  0.503  1.0
  Fe  Fe21  1  0.250  0.126  0.497  1.0
  Fe  Fe22  1  0.583  0.121  0.502  1.0
  Fe  Fe23  1  0.917  0.121  0.502  1.0
  As  As24  1  0.250  0.469  0.314  1.0
  As  As25  1  0.585  0.466  0.318  1.0
  As  As26  1  0.915  0.466  0.318  1.0
  As  As27  1  0.085  0.534  0.682  1.0
  As  As28  1  0.415  0.534  0.682  1.0
  As  As29  1  0.750  0.531  0.686  1.0
  As  As30  1  0.250  0.967  0.313  1.0
  As  As31  1  0.586  0.970  0.313  1.0
  As  As32  1  0.914  0.970  0.313  1.0
  As  As33  1  0.086  0.030  0.687  1.0
  As  As34  1  0.414  0.030  0.687  1.0
  As  As35  1  0.750  0.033  0.687  1.0
  O  O36  1  0.250  0.375  0.999  1.0
  O  O37  1  0.585  0.372  0.998  1.0
  O  O38  1  0.915  0.372  0.998  1.0
  O  O39  1  0.085  0.628  0.002  1.0
  O  O40  1  0.415  0.628  0.002  1.0
  O  O41  1  0.750  0.625  0.001  1.0
  O  O42  1  0.587  0.879  0.002  1.0
  O  O43  1  0.913  0.879  0.002  1.0
  O  O44  1  0.087  0.121  0.998  1.0
  O  O45  1  0.413  0.121  0.998  1.0
  F  F46  1  0.250  0.874  0.001  1.0
  F  F47  1  0.750  0.126  0.999  1.0
[/CIF]
.