The crystal structure described by BaCaBiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. Ca(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted CaF7 pentagonal bipyramids that share  a cornercorner with one Bi(1)F7 pentagonal bipyramid and edges with three equivalent Bi(1)F7 pentagonal bipyramids. Bi(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted BiF7 pentagonal bipyramids that share  a cornercorner with one Ca(1)F7 pentagonal bipyramid and edges with three equivalent Ca(1)F7 pentagonal bipyramids. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the second F site, F(2) 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(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the fourth F site, F(4) is bonded to two equivalent Ba(1), one Ca(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing FBa2CaBi tetrahedra. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the seventh F site, F(7) is bonded to two equivalent Ba(1), one Ca(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing FBa2CaBi tetrahedra. is represented by the CIF file [CIF]
data_BaCaBiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   5.998
_cell_length_c   10.001
_cell_angle_alpha   87.345
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   647.767
_cell_formula_units_Z   4
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  0.312  0.752  0.499  1.0
  Ba  Ba1  1  0.812  0.248  0.001  1.0
  Ba  Ba2  1  0.688  0.248  0.501  1.0
  Ba  Ba3  1  0.188  0.752  0.999  1.0
  Ca  Ca4  1  0.405  0.285  0.795  1.0
  Ca  Ca5  1  0.905  0.715  0.705  1.0
  Ca  Ca6  1  0.095  0.285  0.295  1.0
  Ca  Ca7  1  0.595  0.715  0.205  1.0
  Bi  Bi8  1  0.592  0.782  0.807  1.0
  Bi  Bi9  1  0.408  0.218  0.193  1.0
  Bi  Bi10  1  0.908  0.782  0.307  1.0
  Bi  Bi11  1  0.092  0.218  0.693  1.0
  F  F12  1  0.430  0.880  0.103  1.0
  F  F13  1  0.079  0.616  0.401  1.0
  F  F14  1  0.739  0.501  0.778  1.0
  F  F15  1  0.261  0.499  0.222  1.0
  F  F16  1  0.506  0.977  0.356  1.0
  F  F17  1  0.789  0.762  0.500  1.0
  F  F18  1  0.761  0.995  0.731  1.0
  F  F19  1  0.006  0.023  0.144  1.0
  F  F20  1  0.421  0.616  0.901  1.0
  F  F21  1  0.239  0.499  0.722  1.0
  F  F22  1  0.070  0.880  0.603  1.0
  F  F23  1  0.570  0.120  0.897  1.0
  F  F24  1  0.261  0.005  0.769  1.0
  F  F25  1  0.008  0.477  0.857  1.0
  F  F26  1  0.494  0.023  0.644  1.0
  F  F27  1  0.994  0.977  0.856  1.0
  F  F28  1  0.239  0.005  0.269  1.0
  F  F29  1  0.930  0.120  0.397  1.0
  F  F30  1  0.508  0.523  0.643  1.0
  F  F31  1  0.921  0.384  0.599  1.0
  F  F32  1  0.992  0.523  0.143  1.0
  F  F33  1  0.739  0.995  0.231  1.0
  F  F34  1  0.492  0.477  0.357  1.0
  F  F35  1  0.289  0.238  0.000  1.0
  F  F36  1  0.211  0.238  0.500  1.0
  F  F37  1  0.711  0.762  1.000  1.0
  F  F38  1  0.579  0.384  0.099  1.0
  F  F39  1  0.761  0.501  0.278  1.0
[/CIF]
.
The crystal structure described by BaCaBiF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. Ca(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted CaF7 pentagonal bipyramids that share  a cornercorner with one Bi(1)F7 pentagonal bipyramid and edges with three equivalent Bi(1)F7 pentagonal bipyramids. Bi(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form distorted BiF7 pentagonal bipyramids that share  a cornercorner with one Ca(1)F7 pentagonal bipyramid and edges with three equivalent Ca(1)F7 pentagonal bipyramids. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Bi(1) atom. In the second F site, F(2) 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(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the fourth F site, F(4) is bonded to two equivalent Ba(1), one Ca(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing FBa2CaBi tetrahedra. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Bi(1) atom. In the seventh F site, F(7) is bonded to two equivalent Ba(1), one Ca(1), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing FBa2CaBi tetrahedra. is represented by the CIF file [CIF]
data_BaCaBiF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   5.998
_cell_length_c   10.001
_cell_angle_alpha   87.345
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   647.767
_cell_formula_units_Z   4
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  0.312  0.752  0.499  1.0
  Ba  Ba1  1  0.812  0.248  0.001  1.0
  Ba  Ba2  1  0.688  0.248  0.501  1.0
  Ba  Ba3  1  0.188  0.752  0.999  1.0
  Ca  Ca4  1  0.405  0.285  0.795  1.0
  Ca  Ca5  1  0.905  0.715  0.705  1.0
  Ca  Ca6  1  0.095  0.285  0.295  1.0
  Ca  Ca7  1  0.595  0.715  0.205  1.0
  Bi  Bi8  1  0.592  0.782  0.807  1.0
  Bi  Bi9  1  0.408  0.218  0.193  1.0
  Bi  Bi10  1  0.908  0.782  0.307  1.0
  Bi  Bi11  1  0.092  0.218  0.693  1.0
  F  F12  1  0.430  0.880  0.103  1.0
  F  F13  1  0.079  0.616  0.401  1.0
  F  F14  1  0.739  0.501  0.778  1.0
  F  F15  1  0.261  0.499  0.222  1.0
  F  F16  1  0.506  0.977  0.356  1.0
  F  F17  1  0.789  0.762  0.500  1.0
  F  F18  1  0.761  0.995  0.731  1.0
  F  F19  1  0.006  0.023  0.144  1.0
  F  F20  1  0.421  0.616  0.901  1.0
  F  F21  1  0.239  0.499  0.722  1.0
  F  F22  1  0.070  0.880  0.603  1.0
  F  F23  1  0.570  0.120  0.897  1.0
  F  F24  1  0.261  0.005  0.769  1.0
  F  F25  1  0.008  0.477  0.857  1.0
  F  F26  1  0.494  0.023  0.644  1.0
  F  F27  1  0.994  0.977  0.856  1.0
  F  F28  1  0.239  0.005  0.269  1.0
  F  F29  1  0.930  0.120  0.397  1.0
  F  F30  1  0.508  0.523  0.643  1.0
  F  F31  1  0.921  0.384  0.599  1.0
  F  F32  1  0.992  0.523  0.143  1.0
  F  F33  1  0.739  0.995  0.231  1.0
  F  F34  1  0.492  0.477  0.357  1.0
  F  F35  1  0.289  0.238  0.000  1.0
  F  F36  1  0.211  0.238  0.500  1.0
  F  F37  1  0.711  0.762  1.000  1.0
  F  F38  1  0.579  0.384  0.099  1.0
  F  F39  1  0.761  0.501  0.278  1.0
[/CIF]
.