The material described by Ba2Cr2CuF14 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 in an octahedral geometry to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first 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 second F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Cr(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the fifth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Cu(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2Cr2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   15.085
_cell_angle_alpha   89.059
_cell_angle_beta   89.059
_cell_angle_gamma   41.318
_symmetry_Int_Tables_number   1
_cell_volume   578.845
_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  0.752  0.891  0.627  1.0
  Ba  Ba1  1  0.891  0.752  0.127  1.0
  Ba  Ba2  1  0.248  0.109  0.373  1.0
  Ba  Ba3  1  0.109  0.248  0.873  1.0
  Cr  Cr4  1  0.854  0.901  0.874  1.0
  Cr  Cr5  1  0.146  0.099  0.126  1.0
  Cr  Cr6  1  0.901  0.854  0.374  1.0
  Cr  Cr7  1  0.099  0.146  0.626  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  F  F10  1  0.932  0.062  0.348  1.0
  F  F11  1  0.610  0.112  0.451  1.0
  F  F12  1  0.390  0.888  0.549  1.0
  F  F13  1  0.144  0.348  0.590  1.0
  F  F14  1  0.494  0.376  0.605  1.0
  F  F15  1  0.624  0.506  0.895  1.0
  F  F16  1  0.112  0.610  0.951  1.0
  F  F17  1  0.938  0.068  0.152  1.0
  F  F18  1  0.007  0.646  0.784  1.0
  F  F19  1  0.856  0.652  0.410  1.0
  F  F20  1  0.591  0.157  0.797  1.0
  F  F21  1  0.652  0.856  0.910  1.0
  F  F22  1  0.157  0.591  0.297  1.0
  F  F23  1  0.409  0.843  0.203  1.0
  F  F24  1  0.376  0.494  0.105  1.0
  F  F25  1  0.993  0.354  0.216  1.0
  F  F26  1  0.295  0.874  0.024  1.0
  F  F27  1  0.068  0.938  0.652  1.0
  F  F28  1  0.705  0.126  0.976  1.0
  F  F29  1  0.874  0.295  0.524  1.0
  F  F30  1  0.888  0.390  0.049  1.0
  F  F31  1  0.843  0.409  0.703  1.0
  F  F32  1  0.646  0.007  0.284  1.0
  F  F33  1  0.126  0.705  0.476  1.0
  F  F34  1  0.506  0.624  0.395  1.0
  F  F35  1  0.062  0.932  0.848  1.0
  F  F36  1  0.354  0.993  0.716  1.0
  F  F37  1  0.348  0.144  0.090  1.0
[/CIF]
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The material described by Ba2Cr2CuF14 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 in an octahedral geometry to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first 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 second F site, F(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Cr(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Cr(1), and one Cu(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the fifth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Cu(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2Cr2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.624
_cell_length_b   7.624
_cell_length_c   15.085
_cell_angle_alpha   89.059
_cell_angle_beta   89.059
_cell_angle_gamma   41.318
_symmetry_Int_Tables_number   1
_cell_volume   578.845
_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  0.752  0.891  0.627  1.0
  Ba  Ba1  1  0.891  0.752  0.127  1.0
  Ba  Ba2  1  0.248  0.109  0.373  1.0
  Ba  Ba3  1  0.109  0.248  0.873  1.0
  Cr  Cr4  1  0.854  0.901  0.874  1.0
  Cr  Cr5  1  0.146  0.099  0.126  1.0
  Cr  Cr6  1  0.901  0.854  0.374  1.0
  Cr  Cr7  1  0.099  0.146  0.626  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  F  F10  1  0.932  0.062  0.348  1.0
  F  F11  1  0.610  0.112  0.451  1.0
  F  F12  1  0.390  0.888  0.549  1.0
  F  F13  1  0.144  0.348  0.590  1.0
  F  F14  1  0.494  0.376  0.605  1.0
  F  F15  1  0.624  0.506  0.895  1.0
  F  F16  1  0.112  0.610  0.951  1.0
  F  F17  1  0.938  0.068  0.152  1.0
  F  F18  1  0.007  0.646  0.784  1.0
  F  F19  1  0.856  0.652  0.410  1.0
  F  F20  1  0.591  0.157  0.797  1.0
  F  F21  1  0.652  0.856  0.910  1.0
  F  F22  1  0.157  0.591  0.297  1.0
  F  F23  1  0.409  0.843  0.203  1.0
  F  F24  1  0.376  0.494  0.105  1.0
  F  F25  1  0.993  0.354  0.216  1.0
  F  F26  1  0.295  0.874  0.024  1.0
  F  F27  1  0.068  0.938  0.652  1.0
  F  F28  1  0.705  0.126  0.976  1.0
  F  F29  1  0.874  0.295  0.524  1.0
  F  F30  1  0.888  0.390  0.049  1.0
  F  F31  1  0.843  0.409  0.703  1.0
  F  F32  1  0.646  0.007  0.284  1.0
  F  F33  1  0.126  0.705  0.476  1.0
  F  F34  1  0.506  0.624  0.395  1.0
  F  F35  1  0.062  0.932  0.848  1.0
  F  F36  1  0.354  0.993  0.716  1.0
  F  F37  1  0.348  0.144  0.090  1.0
[/CIF]
.