The crystal structure described by Ba2CaV2CuF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(2), one F(3), one F(5), one F(6), two equivalent F(1), two equivalent F(4), and two equivalent F(7) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. V(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one V(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one V(1), and one Cu(1) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom. In the fifth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. In the sixth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the seventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Ba2CaV2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.577
_cell_length_c   15.137
_cell_angle_alpha   88.582
_cell_angle_beta   88.582
_cell_angle_gamma   42.269
_symmetry_Int_Tables_number   1
_cell_volume   584.320
_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  0.109  0.263  0.876  1.0
  Ba  Ba1  1  0.263  0.109  0.376  1.0
  Ba  Ba2  1  0.737  0.891  0.624  1.0
  Ba  Ba3  1  0.891  0.737  0.124  1.0
  Ca  Ca4  1  0.578  0.422  0.250  1.0
  Ca  Ca5  1  0.422  0.578  0.750  1.0
  V  V6  1  0.147  0.097  0.124  1.0
  V  V7  1  0.903  0.853  0.376  1.0
  V  V8  1  0.097  0.147  0.624  1.0
  V  V9  1  0.853  0.903  0.876  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  0.402  0.888  0.545  1.0
  F  F13  1  0.175  0.589  0.288  1.0
  F  F14  1  0.589  0.175  0.788  1.0
  F  F15  1  0.123  0.708  0.483  1.0
  F  F16  1  0.641  0.038  0.278  1.0
  F  F17  1  0.928  0.085  0.345  1.0
  F  F18  1  0.486  0.616  0.384  1.0
  F  F19  1  0.514  0.384  0.616  1.0
  F  F20  1  0.085  0.928  0.845  1.0
  F  F21  1  0.292  0.877  0.017  1.0
  F  F22  1  0.616  0.486  0.884  1.0
  F  F23  1  0.072  0.915  0.655  1.0
  F  F24  1  0.359  0.962  0.722  1.0
  F  F25  1  0.854  0.639  0.399  1.0
  F  F26  1  0.915  0.072  0.155  1.0
  F  F27  1  0.361  0.146  0.101  1.0
  F  F28  1  0.146  0.361  0.601  1.0
  F  F29  1  0.411  0.825  0.212  1.0
  F  F30  1  0.598  0.112  0.455  1.0
  F  F31  1  0.825  0.411  0.712  1.0
  F  F32  1  0.112  0.598  0.955  1.0
  F  F33  1  0.384  0.514  0.116  1.0
  F  F34  1  0.708  0.123  0.983  1.0
  F  F35  1  0.639  0.854  0.899  1.0
  F  F36  1  0.038  0.641  0.778  1.0
  F  F37  1  0.962  0.359  0.222  1.0
  F  F38  1  0.888  0.402  0.045  1.0
  F  F39  1  0.877  0.292  0.517  1.0
[/CIF]
.
The crystal structure described by Ba2CaV2CuF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(2), one F(3), one F(5), one F(6), two equivalent F(1), two equivalent F(4), and two equivalent F(7) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. V(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(1), two equivalent F(3), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one V(1) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one V(1), and one Cu(1) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one Cu(1) atom. In the fifth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. In the sixth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the seventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Ba2CaV2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.577
_cell_length_b   7.577
_cell_length_c   15.137
_cell_angle_alpha   88.582
_cell_angle_beta   88.582
_cell_angle_gamma   42.269
_symmetry_Int_Tables_number   1
_cell_volume   584.320
_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  0.109  0.263  0.876  1.0
  Ba  Ba1  1  0.263  0.109  0.376  1.0
  Ba  Ba2  1  0.737  0.891  0.624  1.0
  Ba  Ba3  1  0.891  0.737  0.124  1.0
  Ca  Ca4  1  0.578  0.422  0.250  1.0
  Ca  Ca5  1  0.422  0.578  0.750  1.0
  V  V6  1  0.147  0.097  0.124  1.0
  V  V7  1  0.903  0.853  0.376  1.0
  V  V8  1  0.097  0.147  0.624  1.0
  V  V9  1  0.853  0.903  0.876  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  0.402  0.888  0.545  1.0
  F  F13  1  0.175  0.589  0.288  1.0
  F  F14  1  0.589  0.175  0.788  1.0
  F  F15  1  0.123  0.708  0.483  1.0
  F  F16  1  0.641  0.038  0.278  1.0
  F  F17  1  0.928  0.085  0.345  1.0
  F  F18  1  0.486  0.616  0.384  1.0
  F  F19  1  0.514  0.384  0.616  1.0
  F  F20  1  0.085  0.928  0.845  1.0
  F  F21  1  0.292  0.877  0.017  1.0
  F  F22  1  0.616  0.486  0.884  1.0
  F  F23  1  0.072  0.915  0.655  1.0
  F  F24  1  0.359  0.962  0.722  1.0
  F  F25  1  0.854  0.639  0.399  1.0
  F  F26  1  0.915  0.072  0.155  1.0
  F  F27  1  0.361  0.146  0.101  1.0
  F  F28  1  0.146  0.361  0.601  1.0
  F  F29  1  0.411  0.825  0.212  1.0
  F  F30  1  0.598  0.112  0.455  1.0
  F  F31  1  0.825  0.411  0.712  1.0
  F  F32  1  0.112  0.598  0.955  1.0
  F  F33  1  0.384  0.514  0.116  1.0
  F  F34  1  0.708  0.123  0.983  1.0
  F  F35  1  0.639  0.854  0.899  1.0
  F  F36  1  0.038  0.641  0.778  1.0
  F  F37  1  0.962  0.359  0.222  1.0
  F  F38  1  0.888  0.402  0.045  1.0
  F  F39  1  0.877  0.292  0.517  1.0
[/CIF]
.