The material structure described by NaHo2F7 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted body-centered cubic geometry to one F(4), one F(5), three equivalent F(1), and three equivalent F(7) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one F(2), one F(3), one F(7), two equivalent F(5), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Na(1) and one Ho(1) atom to form a mixture of distorted corner and edge-sharing FNa3Ho tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Ho(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Ho(2) atoms. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ho(2) atoms. In the seventh F site, F(7) is bonded to three equivalent Na(1) and one Ho(2) atom to form a mixture of distorted corner and edge-sharing FNa3Ho tetrahedra. is represented by the CIF file [CIF]
data_NaHo2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.056
_cell_length_b   4.078
_cell_length_c   9.236
_cell_angle_alpha   89.881
_cell_angle_beta   91.755
_cell_angle_gamma   111.910
_symmetry_Int_Tables_number   1
_cell_volume   141.633
_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
  Na  Na0  1  0.987  0.004  0.008  1.0
  Ho  Ho1  1  0.389  0.637  0.677  1.0
  Ho  Ho2  1  0.656  0.276  0.339  1.0
  F  F3  1  0.335  0.702  0.902  1.0
  F  F4  1  0.385  0.128  0.570  1.0
  F  F5  1  0.894  0.614  0.562  1.0
  F  F6  1  0.920  0.110  0.755  1.0
  F  F7  1  0.041  0.020  0.281  1.0
  F  F8  1  0.397  0.664  0.374  1.0
  F  F9  1  0.664  0.350  0.116  1.0
[/CIF]
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The material structure described by NaHo2F7 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted body-centered cubic geometry to one F(4), one F(5), three equivalent F(1), and three equivalent F(7) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one F(2), one F(3), one F(7), two equivalent F(5), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Na(1) and one Ho(1) atom to form a mixture of distorted corner and edge-sharing FNa3Ho tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Ho(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Ho(2) atoms. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ho(2) atoms. In the seventh F site, F(7) is bonded to three equivalent Na(1) and one Ho(2) atom to form a mixture of distorted corner and edge-sharing FNa3Ho tetrahedra. is represented by the CIF file [CIF]
data_NaHo2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.056
_cell_length_b   4.078
_cell_length_c   9.236
_cell_angle_alpha   89.881
_cell_angle_beta   91.755
_cell_angle_gamma   111.910
_symmetry_Int_Tables_number   1
_cell_volume   141.633
_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
  Na  Na0  1  0.987  0.004  0.008  1.0
  Ho  Ho1  1  0.389  0.637  0.677  1.0
  Ho  Ho2  1  0.656  0.276  0.339  1.0
  F  F3  1  0.335  0.702  0.902  1.0
  F  F4  1  0.385  0.128  0.570  1.0
  F  F5  1  0.894  0.614  0.562  1.0
  F  F6  1  0.920  0.110  0.755  1.0
  F  F7  1  0.041  0.020  0.281  1.0
  F  F8  1  0.397  0.664  0.374  1.0
  F  F9  1  0.664  0.350  0.116  1.0
[/CIF]
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