The material described by Ba2CaCuSb2F14 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 square co-planar geometry to two equivalent F(4) and two equivalent F(7) atoms. Sb(1) is bonded in a distorted octahedral geometry to one F(1), one F(2), one F(3), 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 distorted single-bond geometry to two equivalent Ba(1), one Ca(1), and one Sb(1) atom. In the second F site, F(6) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Sb(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 Sb(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 Sb(1) atom. In the fifth F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. In the sixth F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. In the seventh F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba2CaCuSb2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.711
_cell_length_b   7.711
_cell_length_c   16.290
_cell_angle_alpha   89.280
_cell_angle_beta   89.280
_cell_angle_gamma   42.180
_symmetry_Int_Tables_number   1
_cell_volume   650.362
_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  0.736  0.903  0.623  1.0
  Ba  Ba1  1  0.903  0.736  0.123  1.0
  Ba  Ba2  1  0.264  0.097  0.377  1.0
  Ba  Ba3  1  0.097  0.264  0.877  1.0
  Ca  Ca4  1  0.446  0.554  0.750  1.0
  Ca  Ca5  1  0.554  0.446  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Sb  Sb8  1  0.838  0.931  0.877  1.0
  Sb  Sb9  1  0.162  0.069  0.123  1.0
  Sb  Sb10  1  0.931  0.838  0.377  1.0
  Sb  Sb11  1  0.069  0.162  0.623  1.0
  F  F12  1  0.899  0.141  0.332  1.0
  F  F13  1  0.597  0.103  0.456  1.0
  F  F14  1  0.403  0.897  0.544  1.0
  F  F15  1  0.140  0.375  0.608  1.0
  F  F16  1  0.578  0.363  0.612  1.0
  F  F17  1  0.637  0.422  0.888  1.0
  F  F18  1  0.103  0.597  0.956  1.0
  F  F19  1  0.859  0.101  0.168  1.0
  F  F20  1  0.030  0.641  0.789  1.0
  F  F21  1  0.860  0.625  0.392  1.0
  F  F22  1  0.575  0.174  0.766  1.0
  F  F23  1  0.625  0.860  0.892  1.0
  F  F24  1  0.174  0.575  0.266  1.0
  F  F25  1  0.425  0.826  0.234  1.0
  F  F26  1  0.363  0.578  0.112  1.0
  F  F27  1  0.970  0.359  0.211  1.0
  F  F28  1  0.306  0.854  0.988  1.0
  F  F29  1  0.101  0.859  0.668  1.0
  F  F30  1  0.694  0.146  0.012  1.0
  F  F31  1  0.854  0.306  0.488  1.0
  F  F32  1  0.897  0.403  0.044  1.0
  F  F33  1  0.826  0.425  0.734  1.0
  F  F34  1  0.641  0.030  0.289  1.0
  F  F35  1  0.146  0.694  0.512  1.0
  F  F36  1  0.422  0.637  0.388  1.0
  F  F37  1  0.141  0.899  0.832  1.0
  F  F38  1  0.359  0.970  0.711  1.0
  F  F39  1  0.375  0.140  0.108  1.0
[/CIF]
.
The material described by Ba2CaCuSb2F14 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 square co-planar geometry to two equivalent F(4) and two equivalent F(7) atoms. Sb(1) is bonded in a distorted octahedral geometry to one F(1), one F(2), one F(3), 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 distorted single-bond geometry to two equivalent Ba(1), one Ca(1), and one Sb(1) atom. In the second F site, F(6) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Sb(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 Sb(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 Sb(1) atom. In the fifth F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. In the sixth F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. In the seventh F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Ba2CaCuSb2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.711
_cell_length_b   7.711
_cell_length_c   16.290
_cell_angle_alpha   89.280
_cell_angle_beta   89.280
_cell_angle_gamma   42.180
_symmetry_Int_Tables_number   1
_cell_volume   650.362
_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  0.736  0.903  0.623  1.0
  Ba  Ba1  1  0.903  0.736  0.123  1.0
  Ba  Ba2  1  0.264  0.097  0.377  1.0
  Ba  Ba3  1  0.097  0.264  0.877  1.0
  Ca  Ca4  1  0.446  0.554  0.750  1.0
  Ca  Ca5  1  0.554  0.446  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Sb  Sb8  1  0.838  0.931  0.877  1.0
  Sb  Sb9  1  0.162  0.069  0.123  1.0
  Sb  Sb10  1  0.931  0.838  0.377  1.0
  Sb  Sb11  1  0.069  0.162  0.623  1.0
  F  F12  1  0.899  0.141  0.332  1.0
  F  F13  1  0.597  0.103  0.456  1.0
  F  F14  1  0.403  0.897  0.544  1.0
  F  F15  1  0.140  0.375  0.608  1.0
  F  F16  1  0.578  0.363  0.612  1.0
  F  F17  1  0.637  0.422  0.888  1.0
  F  F18  1  0.103  0.597  0.956  1.0
  F  F19  1  0.859  0.101  0.168  1.0
  F  F20  1  0.030  0.641  0.789  1.0
  F  F21  1  0.860  0.625  0.392  1.0
  F  F22  1  0.575  0.174  0.766  1.0
  F  F23  1  0.625  0.860  0.892  1.0
  F  F24  1  0.174  0.575  0.266  1.0
  F  F25  1  0.425  0.826  0.234  1.0
  F  F26  1  0.363  0.578  0.112  1.0
  F  F27  1  0.970  0.359  0.211  1.0
  F  F28  1  0.306  0.854  0.988  1.0
  F  F29  1  0.101  0.859  0.668  1.0
  F  F30  1  0.694  0.146  0.012  1.0
  F  F31  1  0.854  0.306  0.488  1.0
  F  F32  1  0.897  0.403  0.044  1.0
  F  F33  1  0.826  0.425  0.734  1.0
  F  F34  1  0.641  0.030  0.289  1.0
  F  F35  1  0.146  0.694  0.512  1.0
  F  F36  1  0.422  0.637  0.388  1.0
  F  F37  1  0.141  0.899  0.832  1.0
  F  F38  1  0.359  0.970  0.711  1.0
  F  F39  1  0.375  0.140  0.108  1.0
[/CIF]
.