The crystal structure described by Ba2CaCuBi2F14 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. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. 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. Bi(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the second F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the third F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Bi(1) atom. In the fourth F site, F(1) is bonded in a trigonal planar geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the fifth F site, F(2) is bonded to two equivalent Ba(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing FBa2CuBi tetrahedra. In the sixth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and one Bi(1) atom. In the seventh F site, F(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ca(1), one Cu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2CaCuBi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.734
_cell_length_b   7.734
_cell_length_c   16.367
_cell_angle_alpha   89.826
_cell_angle_beta   89.826
_cell_angle_gamma   42.054
_symmetry_Int_Tables_number   1
_cell_volume   655.744
_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  0.284  0.088  0.126  1.0
  Ba  Ba1  1  0.088  0.284  0.626  1.0
  Ba  Ba2  1  0.716  0.912  0.874  1.0
  Ba  Ba3  1  0.912  0.716  0.374  1.0
  Ca  Ca4  1  0.571  0.429  0.250  1.0
  Ca  Ca5  1  0.429  0.571  0.750  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  Bi  Bi8  1  0.173  0.050  0.379  1.0
  Bi  Bi9  1  0.827  0.950  0.621  1.0
  Bi  Bi10  1  0.050  0.173  0.879  1.0
  Bi  Bi11  1  0.950  0.827  0.121  1.0
  F  F12  1  0.092  0.863  0.832  1.0
  F  F13  1  0.416  0.884  0.961  1.0
  F  F14  1  0.584  0.116  0.039  1.0
  F  F15  1  0.881  0.600  0.105  1.0
  F  F16  1  0.414  0.629  0.112  1.0
  F  F17  1  0.371  0.586  0.388  1.0
  F  F18  1  0.884  0.416  0.461  1.0
  F  F19  1  0.137  0.908  0.668  1.0
  F  F20  1  0.973  0.363  0.287  1.0
  F  F21  1  0.119  0.400  0.895  1.0
  F  F22  1  0.433  0.810  0.265  1.0
  F  F23  1  0.400  0.119  0.395  1.0
  F  F24  1  0.810  0.433  0.765  1.0
  F  F25  1  0.567  0.190  0.735  1.0
  F  F26  1  0.629  0.414  0.612  1.0
  F  F27  1  0.027  0.637  0.713  1.0
  F  F28  1  0.716  0.139  0.487  1.0
  F  F29  1  0.908  0.137  0.168  1.0
  F  F30  1  0.284  0.861  0.513  1.0
  F  F31  1  0.139  0.716  0.987  1.0
  F  F32  1  0.116  0.584  0.539  1.0
  F  F33  1  0.190  0.567  0.235  1.0
  F  F34  1  0.363  0.973  0.787  1.0
  F  F35  1  0.861  0.284  0.013  1.0
  F  F36  1  0.586  0.371  0.888  1.0
  F  F37  1  0.863  0.092  0.332  1.0
  F  F38  1  0.637  0.027  0.213  1.0
  F  F39  1  0.600  0.881  0.605  1.0
[/CIF]
.
The crystal structure described by Ba2CaCuBi2F14 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. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. 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. Bi(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the second F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the third F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Bi(1) atom. In the fourth F site, F(1) is bonded in a trigonal planar geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the fifth F site, F(2) is bonded to two equivalent Ba(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing FBa2CuBi tetrahedra. In the sixth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and one Bi(1) atom. In the seventh F site, F(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ca(1), one Cu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2CaCuBi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.734
_cell_length_b   7.734
_cell_length_c   16.367
_cell_angle_alpha   89.826
_cell_angle_beta   89.826
_cell_angle_gamma   42.054
_symmetry_Int_Tables_number   1
_cell_volume   655.744
_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  0.284  0.088  0.126  1.0
  Ba  Ba1  1  0.088  0.284  0.626  1.0
  Ba  Ba2  1  0.716  0.912  0.874  1.0
  Ba  Ba3  1  0.912  0.716  0.374  1.0
  Ca  Ca4  1  0.571  0.429  0.250  1.0
  Ca  Ca5  1  0.429  0.571  0.750  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  Bi  Bi8  1  0.173  0.050  0.379  1.0
  Bi  Bi9  1  0.827  0.950  0.621  1.0
  Bi  Bi10  1  0.050  0.173  0.879  1.0
  Bi  Bi11  1  0.950  0.827  0.121  1.0
  F  F12  1  0.092  0.863  0.832  1.0
  F  F13  1  0.416  0.884  0.961  1.0
  F  F14  1  0.584  0.116  0.039  1.0
  F  F15  1  0.881  0.600  0.105  1.0
  F  F16  1  0.414  0.629  0.112  1.0
  F  F17  1  0.371  0.586  0.388  1.0
  F  F18  1  0.884  0.416  0.461  1.0
  F  F19  1  0.137  0.908  0.668  1.0
  F  F20  1  0.973  0.363  0.287  1.0
  F  F21  1  0.119  0.400  0.895  1.0
  F  F22  1  0.433  0.810  0.265  1.0
  F  F23  1  0.400  0.119  0.395  1.0
  F  F24  1  0.810  0.433  0.765  1.0
  F  F25  1  0.567  0.190  0.735  1.0
  F  F26  1  0.629  0.414  0.612  1.0
  F  F27  1  0.027  0.637  0.713  1.0
  F  F28  1  0.716  0.139  0.487  1.0
  F  F29  1  0.908  0.137  0.168  1.0
  F  F30  1  0.284  0.861  0.513  1.0
  F  F31  1  0.139  0.716  0.987  1.0
  F  F32  1  0.116  0.584  0.539  1.0
  F  F33  1  0.190  0.567  0.235  1.0
  F  F34  1  0.363  0.973  0.787  1.0
  F  F35  1  0.861  0.284  0.013  1.0
  F  F36  1  0.586  0.371  0.888  1.0
  F  F37  1  0.863  0.092  0.332  1.0
  F  F38  1  0.637  0.027  0.213  1.0
  F  F39  1  0.600  0.881  0.605  1.0
[/CIF]
.