The compound described by BaCaSbF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(2), one F(6), two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Ca(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. Sb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Sb(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. 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 Sb(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaSbF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.707
_cell_length_b   6.051
_cell_length_c   10.140
_cell_angle_alpha   86.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.654
_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  0.325  0.732  0.497  1.0
  Ba  Ba1  1  0.825  0.268  0.003  1.0
  Ba  Ba2  1  0.675  0.268  0.503  1.0
  Ba  Ba3  1  0.175  0.732  0.997  1.0
  Ca  Ca4  1  0.406  0.313  0.821  1.0
  Ca  Ca5  1  0.906  0.687  0.679  1.0
  Ca  Ca6  1  0.094  0.313  0.321  1.0
  Ca  Ca7  1  0.594  0.687  0.179  1.0
  Sb  Sb8  1  0.601  0.786  0.802  1.0
  Sb  Sb9  1  0.399  0.214  0.198  1.0
  Sb  Sb10  1  0.899  0.786  0.302  1.0
  Sb  Sb11  1  0.101  0.214  0.698  1.0
  F  F12  1  0.431  0.916  0.119  1.0
  F  F13  1  0.078  0.645  0.419  1.0
  F  F14  1  0.740  0.480  0.761  1.0
  F  F15  1  0.260  0.520  0.239  1.0
  F  F16  1  0.486  0.026  0.362  1.0
  F  F17  1  0.788  0.754  0.486  1.0
  F  F18  1  0.763  0.957  0.733  1.0
  F  F19  1  0.986  0.974  0.138  1.0
  F  F20  1  0.422  0.645  0.919  1.0
  F  F21  1  0.240  0.520  0.739  1.0
  F  F22  1  0.069  0.916  0.619  1.0
  F  F23  1  0.569  0.084  0.881  1.0
  F  F24  1  0.263  0.043  0.767  1.0
  F  F25  1  0.993  0.522  0.860  1.0
  F  F26  1  0.514  0.974  0.638  1.0
  F  F27  1  0.014  0.026  0.862  1.0
  F  F28  1  0.237  0.043  0.267  1.0
  F  F29  1  0.931  0.084  0.381  1.0
  F  F30  1  0.493  0.478  0.640  1.0
  F  F31  1  0.922  0.355  0.581  1.0
  F  F32  1  0.007  0.478  0.140  1.0
  F  F33  1  0.737  0.957  0.233  1.0
  F  F34  1  0.507  0.522  0.360  1.0
  F  F35  1  0.288  0.246  0.014  1.0
  F  F36  1  0.212  0.246  0.514  1.0
  F  F37  1  0.712  0.754  0.986  1.0
  F  F38  1  0.578  0.355  0.081  1.0
  F  F39  1  0.760  0.480  0.261  1.0
[/CIF]
.
The compound described by BaCaSbF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(2), one F(6), two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Ca(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. Sb(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Sb(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Sb(1) atom. 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 Sb(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to one Ba(1), one Ca(1), and one Sb(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaSbF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.707
_cell_length_b   6.051
_cell_length_c   10.140
_cell_angle_alpha   86.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   655.654
_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  0.325  0.732  0.497  1.0
  Ba  Ba1  1  0.825  0.268  0.003  1.0
  Ba  Ba2  1  0.675  0.268  0.503  1.0
  Ba  Ba3  1  0.175  0.732  0.997  1.0
  Ca  Ca4  1  0.406  0.313  0.821  1.0
  Ca  Ca5  1  0.906  0.687  0.679  1.0
  Ca  Ca6  1  0.094  0.313  0.321  1.0
  Ca  Ca7  1  0.594  0.687  0.179  1.0
  Sb  Sb8  1  0.601  0.786  0.802  1.0
  Sb  Sb9  1  0.399  0.214  0.198  1.0
  Sb  Sb10  1  0.899  0.786  0.302  1.0
  Sb  Sb11  1  0.101  0.214  0.698  1.0
  F  F12  1  0.431  0.916  0.119  1.0
  F  F13  1  0.078  0.645  0.419  1.0
  F  F14  1  0.740  0.480  0.761  1.0
  F  F15  1  0.260  0.520  0.239  1.0
  F  F16  1  0.486  0.026  0.362  1.0
  F  F17  1  0.788  0.754  0.486  1.0
  F  F18  1  0.763  0.957  0.733  1.0
  F  F19  1  0.986  0.974  0.138  1.0
  F  F20  1  0.422  0.645  0.919  1.0
  F  F21  1  0.240  0.520  0.739  1.0
  F  F22  1  0.069  0.916  0.619  1.0
  F  F23  1  0.569  0.084  0.881  1.0
  F  F24  1  0.263  0.043  0.767  1.0
  F  F25  1  0.993  0.522  0.860  1.0
  F  F26  1  0.514  0.974  0.638  1.0
  F  F27  1  0.014  0.026  0.862  1.0
  F  F28  1  0.237  0.043  0.267  1.0
  F  F29  1  0.931  0.084  0.381  1.0
  F  F30  1  0.493  0.478  0.640  1.0
  F  F31  1  0.922  0.355  0.581  1.0
  F  F32  1  0.007  0.478  0.140  1.0
  F  F33  1  0.737  0.957  0.233  1.0
  F  F34  1  0.507  0.522  0.360  1.0
  F  F35  1  0.288  0.246  0.014  1.0
  F  F36  1  0.212  0.246  0.514  1.0
  F  F37  1  0.712  0.754  0.986  1.0
  F  F38  1  0.578  0.355  0.081  1.0
  F  F39  1  0.760  0.480  0.261  1.0
[/CIF]
.