The structure described by CaFe2F10 crystallizes in the monoclinic Pc space group. Ca(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(8), and one F(9) atom to form distorted CaF7 pentagonal bipyramids that share  a cornercorner with one Fe(1)F6 octahedra, corners with three equivalent Fe(2)F6 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-42°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(3), one F(6), one F(8), and two equivalent F(9) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra,  a cornercorner with one Ca(1)F7 pentagonal bipyramid, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Fe site, Fe(2) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(10) atoms to form FeF6 octahedra that share corners with two equivalent Fe(2)F6 octahedra and corners with three equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ca(1) and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Fe(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Fe(2) atom. In the eighth F site, F(8) is bonded in a distorted linear geometry to one Ca(1) and one Fe(1) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Fe(1) atoms. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_CaFe2F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.953
_cell_length_b   5.256
_cell_length_c   7.515
_cell_angle_alpha   68.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.309
_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
  Ca  Ca0  1  0.764  0.460  0.765  1.0
  Ca  Ca1  1  0.236  0.460  0.265  1.0
  Fe  Fe2  1  0.010  0.108  0.620  1.0
  Fe  Fe3  1  0.496  0.893  0.881  1.0
  Fe  Fe4  1  0.504  0.893  0.381  1.0
  Fe  Fe5  1  0.990  0.108  0.120  1.0
  F  F6  1  0.122  0.395  0.562  1.0
  F  F7  1  0.593  0.592  0.916  1.0
  F  F8  1  0.407  0.592  0.416  1.0
  F  F9  1  0.878  0.395  0.062  1.0
  F  F10  1  0.875  0.336  0.519  1.0
  F  F11  1  0.357  0.684  0.002  1.0
  F  F12  1  0.643  0.684  0.502  1.0
  F  F13  1  0.125  0.336  0.019  1.0
  F  F14  1  0.646  0.088  0.774  1.0
  F  F15  1  0.139  0.893  0.732  1.0
  F  F16  1  0.861  0.893  0.232  1.0
  F  F17  1  0.354  0.088  0.274  1.0
  F  F18  1  0.407  0.186  0.846  1.0
  F  F19  1  0.903  0.822  0.645  1.0
  F  F20  1  0.097  0.822  0.145  1.0
  F  F21  1  0.593  0.186  0.346  1.0
  F  F22  1  0.934  0.123  0.860  1.0
  F  F23  1  0.437  0.893  0.632  1.0
  F  F24  1  0.563  0.893  0.132  1.0
  F  F25  1  0.066  0.123  0.360  1.0
[/CIF]
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The structure described by CaFe2F10 crystallizes in the monoclinic Pc space group. Ca(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(8), and one F(9) atom to form distorted CaF7 pentagonal bipyramids that share  a cornercorner with one Fe(1)F6 octahedra, corners with three equivalent Fe(2)F6 octahedra, and edges with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-42°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(3), one F(6), one F(8), and two equivalent F(9) atoms to form FeF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra,  a cornercorner with one Ca(1)F7 pentagonal bipyramid, and edges with two equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Fe site, Fe(2) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(10) atoms to form FeF6 octahedra that share corners with two equivalent Fe(2)F6 octahedra and corners with three equivalent Ca(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Ca(1) and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(1) and one Fe(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one Fe(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Fe(1) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Fe(2) atom. In the eighth F site, F(8) is bonded in a distorted linear geometry to one Ca(1) and one Fe(1) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Fe(1) atoms. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_CaFe2F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.953
_cell_length_b   5.256
_cell_length_c   7.515
_cell_angle_alpha   68.718
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.309
_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
  Ca  Ca0  1  0.764  0.460  0.765  1.0
  Ca  Ca1  1  0.236  0.460  0.265  1.0
  Fe  Fe2  1  0.010  0.108  0.620  1.0
  Fe  Fe3  1  0.496  0.893  0.881  1.0
  Fe  Fe4  1  0.504  0.893  0.381  1.0
  Fe  Fe5  1  0.990  0.108  0.120  1.0
  F  F6  1  0.122  0.395  0.562  1.0
  F  F7  1  0.593  0.592  0.916  1.0
  F  F8  1  0.407  0.592  0.416  1.0
  F  F9  1  0.878  0.395  0.062  1.0
  F  F10  1  0.875  0.336  0.519  1.0
  F  F11  1  0.357  0.684  0.002  1.0
  F  F12  1  0.643  0.684  0.502  1.0
  F  F13  1  0.125  0.336  0.019  1.0
  F  F14  1  0.646  0.088  0.774  1.0
  F  F15  1  0.139  0.893  0.732  1.0
  F  F16  1  0.861  0.893  0.232  1.0
  F  F17  1  0.354  0.088  0.274  1.0
  F  F18  1  0.407  0.186  0.846  1.0
  F  F19  1  0.903  0.822  0.645  1.0
  F  F20  1  0.097  0.822  0.145  1.0
  F  F21  1  0.593  0.186  0.346  1.0
  F  F22  1  0.934  0.123  0.860  1.0
  F  F23  1  0.437  0.893  0.632  1.0
  F  F24  1  0.563  0.893  0.132  1.0
  F  F25  1  0.066  0.123  0.360  1.0
[/CIF]
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