The compound described by BaCaCrF7 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(5), one F(6), and one F(7) atom to form distorted CaF6 octahedra that share corners with three equivalent Cr(1)F6 octahedra and  an edgeedge with one Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CrF6 octahedra that share corners with three equivalent Ca(1)F6 octahedra and  an edgeedge with one Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(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 Cr(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaCrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.481
_cell_length_b   5.782
_cell_length_c   10.069
_cell_angle_alpha   87.654
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.691
_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  0.334  0.740  0.504  1.0
  Ba  Ba1  1  0.834  0.260  0.996  1.0
  Ba  Ba2  1  0.666  0.260  0.496  1.0
  Ba  Ba3  1  0.166  0.740  0.004  1.0
  Ca  Ca4  1  0.404  0.300  0.818  1.0
  Ca  Ca5  1  0.904  0.700  0.682  1.0
  Ca  Ca6  1  0.096  0.300  0.318  1.0
  Ca  Ca7  1  0.596  0.700  0.182  1.0
  Cr  Cr8  1  0.620  0.811  0.811  1.0
  Cr  Cr9  1  0.380  0.189  0.189  1.0
  Cr  Cr10  1  0.880  0.811  0.311  1.0
  Cr  Cr11  1  0.120  0.189  0.689  1.0
  F  F12  1  0.427  0.901  0.112  1.0
  F  F13  1  0.038  0.660  0.369  1.0
  F  F14  1  0.702  0.531  0.743  1.0
  F  F15  1  0.298  0.469  0.257  1.0
  F  F16  1  0.459  0.094  0.358  1.0
  F  F17  1  0.800  0.725  0.482  1.0
  F  F18  1  0.772  0.986  0.751  1.0
  F  F19  1  0.959  0.906  0.142  1.0
  F  F20  1  0.462  0.660  0.869  1.0
  F  F21  1  0.202  0.469  0.757  1.0
  F  F22  1  0.073  0.901  0.612  1.0
  F  F23  1  0.573  0.099  0.888  1.0
  F  F24  1  0.272  0.014  0.749  1.0
  F  F25  1  0.958  0.605  0.885  1.0
  F  F26  1  0.541  0.906  0.642  1.0
  F  F27  1  0.041  0.094  0.858  1.0
  F  F28  1  0.228  0.014  0.249  1.0
  F  F29  1  0.927  0.099  0.388  1.0
  F  F30  1  0.458  0.395  0.615  1.0
  F  F31  1  0.962  0.340  0.631  1.0
  F  F32  1  0.042  0.395  0.115  1.0
  F  F33  1  0.728  0.986  0.251  1.0
  F  F34  1  0.542  0.605  0.385  1.0
  F  F35  1  0.300  0.275  0.018  1.0
  F  F36  1  0.200  0.275  0.518  1.0
  F  F37  1  0.700  0.725  0.982  1.0
  F  F38  1  0.538  0.340  0.131  1.0
  F  F39  1  0.798  0.531  0.243  1.0
[/CIF]
.
The compound described by BaCaCrF7 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(5), one F(6), and one F(7) atom to form distorted CaF6 octahedra that share corners with three equivalent Cr(1)F6 octahedra and  an edgeedge with one Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Cr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CrF6 octahedra that share corners with three equivalent Ca(1)F6 octahedra and  an edgeedge with one Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ba(1), one Ca(1), and one Cr(1) atom. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(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 Cr(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ca(1), and one Cr(1) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaCrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.481
_cell_length_b   5.782
_cell_length_c   10.069
_cell_angle_alpha   87.654
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.691
_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  0.334  0.740  0.504  1.0
  Ba  Ba1  1  0.834  0.260  0.996  1.0
  Ba  Ba2  1  0.666  0.260  0.496  1.0
  Ba  Ba3  1  0.166  0.740  0.004  1.0
  Ca  Ca4  1  0.404  0.300  0.818  1.0
  Ca  Ca5  1  0.904  0.700  0.682  1.0
  Ca  Ca6  1  0.096  0.300  0.318  1.0
  Ca  Ca7  1  0.596  0.700  0.182  1.0
  Cr  Cr8  1  0.620  0.811  0.811  1.0
  Cr  Cr9  1  0.380  0.189  0.189  1.0
  Cr  Cr10  1  0.880  0.811  0.311  1.0
  Cr  Cr11  1  0.120  0.189  0.689  1.0
  F  F12  1  0.427  0.901  0.112  1.0
  F  F13  1  0.038  0.660  0.369  1.0
  F  F14  1  0.702  0.531  0.743  1.0
  F  F15  1  0.298  0.469  0.257  1.0
  F  F16  1  0.459  0.094  0.358  1.0
  F  F17  1  0.800  0.725  0.482  1.0
  F  F18  1  0.772  0.986  0.751  1.0
  F  F19  1  0.959  0.906  0.142  1.0
  F  F20  1  0.462  0.660  0.869  1.0
  F  F21  1  0.202  0.469  0.757  1.0
  F  F22  1  0.073  0.901  0.612  1.0
  F  F23  1  0.573  0.099  0.888  1.0
  F  F24  1  0.272  0.014  0.749  1.0
  F  F25  1  0.958  0.605  0.885  1.0
  F  F26  1  0.541  0.906  0.642  1.0
  F  F27  1  0.041  0.094  0.858  1.0
  F  F28  1  0.228  0.014  0.249  1.0
  F  F29  1  0.927  0.099  0.388  1.0
  F  F30  1  0.458  0.395  0.615  1.0
  F  F31  1  0.962  0.340  0.631  1.0
  F  F32  1  0.042  0.395  0.115  1.0
  F  F33  1  0.728  0.986  0.251  1.0
  F  F34  1  0.542  0.605  0.385  1.0
  F  F35  1  0.300  0.275  0.018  1.0
  F  F36  1  0.200  0.275  0.518  1.0
  F  F37  1  0.700  0.725  0.982  1.0
  F  F38  1  0.538  0.340  0.131  1.0
  F  F39  1  0.798  0.531  0.243  1.0
[/CIF]
.