The material described by Ba2Cr2CuZnF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Zn(1) atom. In the third F site, F(7) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Cu(1) atom. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cr(1), and one Zn(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Cr(1) atom. In the seventh F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Ba2ZnCr2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.572
_cell_length_b   7.572
_cell_length_c   14.736
_cell_angle_alpha   88.555
_cell_angle_beta   88.555
_cell_angle_gamma   41.086
_symmetry_Int_Tables_number   1
_cell_volume   555.049
_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
  Ba  Ba0  1  0.741  0.887  0.624  1.0
  Ba  Ba1  1  0.887  0.741  0.124  1.0
  Ba  Ba2  1  0.259  0.113  0.376  1.0
  Ba  Ba3  1  0.113  0.259  0.876  1.0
  Zn  Zn4  1  0.432  0.568  0.750  1.0
  Zn  Zn5  1  0.568  0.432  0.250  1.0
  Cr  Cr6  1  0.862  0.900  0.874  1.0
  Cr  Cr7  1  0.138  0.100  0.126  1.0
  Cr  Cr8  1  0.900  0.862  0.374  1.0
  Cr  Cr9  1  0.100  0.138  0.626  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  F  F12  1  0.906  0.106  0.339  1.0
  F  F13  1  0.595  0.131  0.455  1.0
  F  F14  1  0.405  0.869  0.545  1.0
  F  F15  1  0.152  0.348  0.596  1.0
  F  F16  1  0.512  0.393  0.622  1.0
  F  F17  1  0.607  0.488  0.878  1.0
  F  F18  1  0.131  0.595  0.955  1.0
  F  F19  1  0.894  0.094  0.161  1.0
  F  F20  1  0.032  0.642  0.777  1.0
  F  F21  1  0.848  0.652  0.404  1.0
  F  F22  1  0.581  0.194  0.789  1.0
  F  F23  1  0.652  0.848  0.904  1.0
  F  F24  1  0.194  0.581  0.289  1.0
  F  F25  1  0.419  0.806  0.211  1.0
  F  F26  1  0.393  0.512  0.122  1.0
  F  F27  1  0.968  0.358  0.223  1.0
  F  F28  1  0.284  0.879  0.017  1.0
  F  F29  1  0.094  0.894  0.661  1.0
  F  F30  1  0.716  0.121  0.983  1.0
  F  F31  1  0.879  0.284  0.517  1.0
  F  F32  1  0.869  0.405  0.045  1.0
  F  F33  1  0.806  0.419  0.711  1.0
  F  F34  1  0.642  0.032  0.277  1.0
  F  F35  1  0.121  0.716  0.483  1.0
  F  F36  1  0.488  0.607  0.378  1.0
  F  F37  1  0.106  0.906  0.839  1.0
  F  F38  1  0.358  0.968  0.723  1.0
  F  F39  1  0.348  0.152  0.096  1.0
[/CIF]
.
The material described by Ba2Cr2CuZnF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form CrF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Zn(1) atom. In the third F site, F(7) is bonded in a 2-coordinate geometry to one Ba(1), one Cr(1), and one Cu(1) atom. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cr(1), and one Zn(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Cr(1) atom. In the seventh F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Ba2ZnCr2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.572
_cell_length_b   7.572
_cell_length_c   14.736
_cell_angle_alpha   88.555
_cell_angle_beta   88.555
_cell_angle_gamma   41.086
_symmetry_Int_Tables_number   1
_cell_volume   555.049
_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
  Ba  Ba0  1  0.741  0.887  0.624  1.0
  Ba  Ba1  1  0.887  0.741  0.124  1.0
  Ba  Ba2  1  0.259  0.113  0.376  1.0
  Ba  Ba3  1  0.113  0.259  0.876  1.0
  Zn  Zn4  1  0.432  0.568  0.750  1.0
  Zn  Zn5  1  0.568  0.432  0.250  1.0
  Cr  Cr6  1  0.862  0.900  0.874  1.0
  Cr  Cr7  1  0.138  0.100  0.126  1.0
  Cr  Cr8  1  0.900  0.862  0.374  1.0
  Cr  Cr9  1  0.100  0.138  0.626  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  F  F12  1  0.906  0.106  0.339  1.0
  F  F13  1  0.595  0.131  0.455  1.0
  F  F14  1  0.405  0.869  0.545  1.0
  F  F15  1  0.152  0.348  0.596  1.0
  F  F16  1  0.512  0.393  0.622  1.0
  F  F17  1  0.607  0.488  0.878  1.0
  F  F18  1  0.131  0.595  0.955  1.0
  F  F19  1  0.894  0.094  0.161  1.0
  F  F20  1  0.032  0.642  0.777  1.0
  F  F21  1  0.848  0.652  0.404  1.0
  F  F22  1  0.581  0.194  0.789  1.0
  F  F23  1  0.652  0.848  0.904  1.0
  F  F24  1  0.194  0.581  0.289  1.0
  F  F25  1  0.419  0.806  0.211  1.0
  F  F26  1  0.393  0.512  0.122  1.0
  F  F27  1  0.968  0.358  0.223  1.0
  F  F28  1  0.284  0.879  0.017  1.0
  F  F29  1  0.094  0.894  0.661  1.0
  F  F30  1  0.716  0.121  0.983  1.0
  F  F31  1  0.879  0.284  0.517  1.0
  F  F32  1  0.869  0.405  0.045  1.0
  F  F33  1  0.806  0.419  0.711  1.0
  F  F34  1  0.642  0.032  0.277  1.0
  F  F35  1  0.121  0.716  0.483  1.0
  F  F36  1  0.488  0.607  0.378  1.0
  F  F37  1  0.106  0.906  0.839  1.0
  F  F38  1  0.358  0.968  0.723  1.0
  F  F39  1  0.348  0.152  0.096  1.0
[/CIF]
.