The crystal structure described by Zr2Cr2F3 crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to one F(1) and one F(4) atom. In the second Zr site, Zr(2) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to one Cr(3), one F(4), and two equivalent F(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a linear geometry to one F(2) and one F(3) atom. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one F(4) atom. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Zr(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Cr(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(3), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Zr2Cr2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.601
_cell_length_b   6.601
_cell_length_c   5.849
_cell_angle_alpha   87.615
_cell_angle_beta   87.615
_cell_angle_gamma   97.729
_symmetry_Int_Tables_number   1
_cell_volume   252.071
_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
  Zr  Zr0  1  0.836  0.836  0.196  1.0
  Zr  Zr1  1  0.776  0.315  0.371  1.0
  Zr  Zr2  1  0.315  0.776  0.371  1.0
  Zr  Zr3  1  0.213  0.213  0.192  1.0
  Cr  Cr4  1  0.033  0.534  0.893  1.0
  Cr  Cr5  1  0.985  0.985  0.589  1.0
  Cr  Cr6  1  0.333  0.333  0.632  1.0
  Cr  Cr7  1  0.534  0.033  0.893  1.0
  F  F8  1  0.608  0.608  0.350  1.0
  F  F9  1  0.427  0.802  0.701  1.0
  F  F10  1  0.802  0.427  0.701  1.0
  F  F11  1  0.290  0.578  0.083  1.0
  F  F12  1  0.578  0.290  0.083  1.0
  F  F13  1  0.027  0.027  0.946  1.0
[/CIF]
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The crystal structure described by Zr2Cr2F3 crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to one F(1) and one F(4) atom. In the second Zr site, Zr(2) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to one Cr(3), one F(4), and two equivalent F(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a linear geometry to one F(2) and one F(3) atom. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one F(4) atom. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Zr(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Cr(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Zr(3), and one Cr(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(3), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Zr2Cr2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.601
_cell_length_b   6.601
_cell_length_c   5.849
_cell_angle_alpha   87.615
_cell_angle_beta   87.615
_cell_angle_gamma   97.729
_symmetry_Int_Tables_number   1
_cell_volume   252.071
_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
  Zr  Zr0  1  0.836  0.836  0.196  1.0
  Zr  Zr1  1  0.776  0.315  0.371  1.0
  Zr  Zr2  1  0.315  0.776  0.371  1.0
  Zr  Zr3  1  0.213  0.213  0.192  1.0
  Cr  Cr4  1  0.033  0.534  0.893  1.0
  Cr  Cr5  1  0.985  0.985  0.589  1.0
  Cr  Cr6  1  0.333  0.333  0.632  1.0
  Cr  Cr7  1  0.534  0.033  0.893  1.0
  F  F8  1  0.608  0.608  0.350  1.0
  F  F9  1  0.427  0.802  0.701  1.0
  F  F10  1  0.802  0.427  0.701  1.0
  F  F11  1  0.290  0.578  0.083  1.0
  F  F12  1  0.578  0.290  0.083  1.0
  F  F13  1  0.027  0.027  0.946  1.0
[/CIF]
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