The material structure described by K2SmF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Sm(1) is bonded to one F(1), one F(2), one F(4), and four equivalent F(3) atoms to form distorted edge-sharing SmF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Sm(1) atom. In the second F site, F(2) is bonded to four equivalent K(1) and one Sm(1) atom to form distorted FK4Sm trigonal bipyramids that share corners with four equivalent F(3)K2Sm2 tetrahedra, corners with four equivalent F(2)K4Sm trigonal bipyramids, corners with four equivalent F(4)K4Sm trigonal bipyramids, edges with four equivalent F(3)K2Sm2 tetrahedra,  an edgeedge with one F(4)K4Sm trigonal bipyramid, and  a faceface with one F(4)K4Sm trigonal bipyramid. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Sm(1) atoms to form distorted FK2Sm2 tetrahedra that share corners with six equivalent F(3)K2Sm2 tetrahedra, corners with two equivalent F(2)K4Sm trigonal bipyramids, corners with four equivalent F(4)K4Sm trigonal bipyramids,  an edgeedge with one F(3)K2Sm2 tetrahedra,  an edgeedge with one F(4)K4Sm trigonal bipyramid, and edges with two equivalent F(2)K4Sm trigonal bipyramids. In the fourth F site, F(4) is bonded to four equivalent K(1) and one Sm(1) atom to form distorted FK4Sm trigonal bipyramids that share corners with eight equivalent F(3)K2Sm2 tetrahedra, corners with four equivalent F(2)K4Sm trigonal bipyramids, edges with two equivalent F(3)K2Sm2 tetrahedra,  an edgeedge with one F(2)K4Sm trigonal bipyramid, edges with two equivalent F(4)K4Sm trigonal bipyramids, and  a faceface with one F(2)K4Sm trigonal bipyramid. is represented by the CIF card [CIF]
data_K2SmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   7.401
_cell_length_c   10.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.429
_cell_formula_units_Z   4
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
  K  K0  1  0.531  0.998  0.828  1.0
  K  K1  1  0.469  0.498  0.172  1.0
  K  K2  1  0.969  0.998  0.328  1.0
  K  K3  1  0.031  0.498  0.672  1.0
  K  K4  1  0.531  0.502  0.828  1.0
  K  K5  1  0.469  0.002  0.172  1.0
  K  K6  1  0.969  0.502  0.328  1.0
  K  K7  1  0.031  0.002  0.672  1.0
  Sm  Sm8  1  0.567  0.250  0.504  1.0
  Sm  Sm9  1  0.433  0.750  0.496  1.0
  Sm  Sm10  1  0.933  0.250  0.004  1.0
  Sm  Sm11  1  0.067  0.750  0.996  1.0
  F  F12  1  0.861  0.750  0.829  1.0
  F  F13  1  0.139  0.250  0.171  1.0
  F  F14  1  0.639  0.750  0.329  1.0
  F  F15  1  0.361  0.250  0.671  1.0
  F  F16  1  0.830  0.250  0.801  1.0
  F  F17  1  0.170  0.750  0.199  1.0
  F  F18  1  0.670  0.250  0.301  1.0
  F  F19  1  0.330  0.750  0.699  1.0
  F  F20  1  0.648  0.966  0.581  1.0
  F  F21  1  0.352  0.466  0.419  1.0
  F  F22  1  0.852  0.966  0.081  1.0
  F  F23  1  0.148  0.466  0.919  1.0
  F  F24  1  0.407  0.750  0.989  1.0
  F  F25  1  0.593  0.250  0.011  1.0
  F  F26  1  0.093  0.750  0.489  1.0
  F  F27  1  0.907  0.250  0.511  1.0
  F  F28  1  0.148  0.034  0.919  1.0
  F  F29  1  0.852  0.534  0.081  1.0
  F  F30  1  0.352  0.034  0.419  1.0
  F  F31  1  0.648  0.534  0.581  1.0
[/CIF]
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The material structure described by K2SmF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Sm(1) is bonded to one F(1), one F(2), one F(4), and four equivalent F(3) atoms to form distorted edge-sharing SmF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Sm(1) atom. In the second F site, F(2) is bonded to four equivalent K(1) and one Sm(1) atom to form distorted FK4Sm trigonal bipyramids that share corners with four equivalent F(3)K2Sm2 tetrahedra, corners with four equivalent F(2)K4Sm trigonal bipyramids, corners with four equivalent F(4)K4Sm trigonal bipyramids, edges with four equivalent F(3)K2Sm2 tetrahedra,  an edgeedge with one F(4)K4Sm trigonal bipyramid, and  a faceface with one F(4)K4Sm trigonal bipyramid. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Sm(1) atoms to form distorted FK2Sm2 tetrahedra that share corners with six equivalent F(3)K2Sm2 tetrahedra, corners with two equivalent F(2)K4Sm trigonal bipyramids, corners with four equivalent F(4)K4Sm trigonal bipyramids,  an edgeedge with one F(3)K2Sm2 tetrahedra,  an edgeedge with one F(4)K4Sm trigonal bipyramid, and edges with two equivalent F(2)K4Sm trigonal bipyramids. In the fourth F site, F(4) is bonded to four equivalent K(1) and one Sm(1) atom to form distorted FK4Sm trigonal bipyramids that share corners with eight equivalent F(3)K2Sm2 tetrahedra, corners with four equivalent F(2)K4Sm trigonal bipyramids, edges with two equivalent F(3)K2Sm2 tetrahedra,  an edgeedge with one F(2)K4Sm trigonal bipyramid, edges with two equivalent F(4)K4Sm trigonal bipyramids, and  a faceface with one F(2)K4Sm trigonal bipyramid. is represented by the CIF card [CIF]
data_K2SmF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   7.401
_cell_length_c   10.743
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.429
_cell_formula_units_Z   4
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
  K  K0  1  0.531  0.998  0.828  1.0
  K  K1  1  0.469  0.498  0.172  1.0
  K  K2  1  0.969  0.998  0.328  1.0
  K  K3  1  0.031  0.498  0.672  1.0
  K  K4  1  0.531  0.502  0.828  1.0
  K  K5  1  0.469  0.002  0.172  1.0
  K  K6  1  0.969  0.502  0.328  1.0
  K  K7  1  0.031  0.002  0.672  1.0
  Sm  Sm8  1  0.567  0.250  0.504  1.0
  Sm  Sm9  1  0.433  0.750  0.496  1.0
  Sm  Sm10  1  0.933  0.250  0.004  1.0
  Sm  Sm11  1  0.067  0.750  0.996  1.0
  F  F12  1  0.861  0.750  0.829  1.0
  F  F13  1  0.139  0.250  0.171  1.0
  F  F14  1  0.639  0.750  0.329  1.0
  F  F15  1  0.361  0.250  0.671  1.0
  F  F16  1  0.830  0.250  0.801  1.0
  F  F17  1  0.170  0.750  0.199  1.0
  F  F18  1  0.670  0.250  0.301  1.0
  F  F19  1  0.330  0.750  0.699  1.0
  F  F20  1  0.648  0.966  0.581  1.0
  F  F21  1  0.352  0.466  0.419  1.0
  F  F22  1  0.852  0.966  0.081  1.0
  F  F23  1  0.148  0.466  0.919  1.0
  F  F24  1  0.407  0.750  0.989  1.0
  F  F25  1  0.593  0.250  0.011  1.0
  F  F26  1  0.093  0.750  0.489  1.0
  F  F27  1  0.907  0.250  0.511  1.0
  F  F28  1  0.148  0.034  0.919  1.0
  F  F29  1  0.852  0.534  0.081  1.0
  F  F30  1  0.352  0.034  0.419  1.0
  F  F31  1  0.648  0.534  0.581  1.0
[/CIF]
.