The material structure described by Ba2CaCuSn2F14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(13), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(27), one F(5), one F(6), and one F(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one F(15), one F(17), one F(19), and one F(6) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one F(20), one F(24), one F(25), and one F(5) atom. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an octahedral geometry to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom. In the second Sn site, Sn(2) is bonded in an octahedral geometry to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom. In the third Sn site, Sn(3) is bonded in an octahedral geometry to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom. In the fourth Sn site, Sn(4) is bonded in an octahedral geometry to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ca(2), and one Sn(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Sn(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one Sn(4) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Sn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Ca(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sn(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Sn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Ca(1), and one Sn(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to two equivalent Ba(3) and one Sn(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Sn(1) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to two equivalent Ba(4) and one Sn(1) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ca(2), and one Sn(2) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(3), one Ca(2), and one Sn(3) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ca(2), and one Sn(3) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ba(4), one Cu(1), and one Sn(3) atom. In the eighteenth F site, F(18) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Sn(4) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to one Ba(2), one Cu(1), and one Sn(1) atom. In the twentieth F site, F(20) is bonded in a 3-coordinate geometry to one Ba(3), one Cu(2), and one Sn(4) atom. In the twenty-first F site, F(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), and one Sn(3) atom. In the twenty-second F site, F(22) is bonded in a 3-coordinate geometry to one Ba(4), one Ca(1), and one Sn(4) atom. In the twenty-third F site, F(23) is bonded in a distorted trigonal pyramidal geometry to one Ba(2), one Ba(3), one Ca(2), and one Sn(2) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(2), and one Sn(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ca(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a trigonal planar geometry to one Ba(4), one Ca(1), and one Sn(1) atom. In the twenty-seventh F site, F(27) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ca(1), and one Sn(4) atom. In the twenty-eighth F site, F(28) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one Sn(3) atom. is represented by the CIF file [CIF]
data_Ba2CaCuSn2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   7.789
_cell_length_c   15.647
_cell_angle_alpha   91.568
_cell_angle_beta   90.292
_cell_angle_gamma   110.820
_symmetry_Int_Tables_number   1
_cell_volume   639.108
_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  0.086  0.349  0.622  1.0
  Ba  Ba1  1  0.264  0.352  0.127  1.0
  Ba  Ba2  1  0.901  0.633  0.375  1.0
  Ba  Ba3  1  0.732  0.635  0.876  1.0
  Ca  Ca4  1  0.440  0.009  0.753  1.0
  Ca  Ca5  1  0.573  0.017  0.254  1.0
  Cu  Cu6  1  0.511  0.009  1.000  1.0
  Cu  Cu7  1  0.499  0.010  0.499  1.0
  Sn  Sn8  1  0.085  0.241  0.879  1.0
  Sn  Sn9  1  0.160  0.239  0.380  1.0
  Sn  Sn10  1  0.902  0.754  0.124  1.0
  Sn  Sn11  1  0.851  0.755  0.624  1.0
  F  F12  1  0.863  0.957  0.336  1.0
  F  F13  1  0.877  0.317  0.458  1.0
  F  F14  1  0.109  0.695  0.550  1.0
  F  F15  1  0.629  0.492  0.606  1.0
  F  F16  1  0.629  0.072  0.618  1.0
  F  F17  1  0.554  0.922  0.884  1.0
  F  F18  1  0.434  0.317  0.955  1.0
  F  F19  1  0.911  0.007  0.156  1.0
  F  F20  1  0.363  0.324  0.775  1.0
  F  F21  1  0.381  0.532  0.396  1.0
  F  F22  1  0.813  0.244  0.776  1.0
  F  F23  1  0.143  0.526  0.895  1.0
  F  F24  1  0.438  0.253  0.270  1.0
  F  F25  1  0.176  0.768  0.211  1.0
  F  F26  1  0.448  0.075  0.116  1.0
  F  F27  1  0.642  0.671  0.218  1.0
  F  F28  1  0.088  0.822  0.015  1.0
  F  F29  1  0.094  0.007  0.658  1.0
  F  F30  1  0.903  0.177  0.001  1.0
  F  F31  1  0.729  0.823  0.515  1.0
  F  F32  1  0.584  0.694  0.048  1.0
  F  F33  1  0.594  0.765  0.713  1.0
  F  F34  1  0.956  0.324  0.272  1.0
  F  F35  1  0.277  0.174  0.509  1.0
  F  F36  1  0.365  0.924  0.383  1.0
  F  F37  1  0.094  0.968  0.838  1.0
  F  F38  1  0.031  0.674  0.720  1.0
  F  F39  1  0.867  0.492  0.104  1.0
[/CIF]
.
The material structure described by Ba2CaCuSn2F14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(13), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(27), one F(5), one F(6), and one F(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one F(15), one F(17), one F(19), and one F(6) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one F(20), one F(24), one F(25), and one F(5) atom. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in an octahedral geometry to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom. In the second Sn site, Sn(2) is bonded in an octahedral geometry to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom. In the third Sn site, Sn(3) is bonded in an octahedral geometry to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom. In the fourth Sn site, Sn(4) is bonded in an octahedral geometry to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ca(2), and one Sn(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Sn(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one Sn(4) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Sn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Ca(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), and one Sn(1) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Sn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Ca(1), and one Sn(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to two equivalent Ba(3) and one Sn(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ca(1), and one Sn(1) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to two equivalent Ba(4) and one Sn(1) atom. In the thirteenth F site, F(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ca(2), and one Sn(2) atom. In the fourteenth F site, F(14) is bonded in a 3-coordinate geometry to one Ba(3), one Ca(2), and one Sn(3) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ca(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), one Ca(2), and one Sn(3) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ba(4), one Cu(1), and one Sn(3) atom. In the eighteenth F site, F(18) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Sn(4) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to one Ba(2), one Cu(1), and one Sn(1) atom. In the twentieth F site, F(20) is bonded in a 3-coordinate geometry to one Ba(3), one Cu(2), and one Sn(4) atom. In the twenty-first F site, F(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), and one Sn(3) atom. In the twenty-second F site, F(22) is bonded in a 3-coordinate geometry to one Ba(4), one Ca(1), and one Sn(4) atom. In the twenty-third F site, F(23) is bonded in a distorted trigonal pyramidal geometry to one Ba(2), one Ba(3), one Ca(2), and one Sn(2) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(2), and one Sn(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Ba(3), one Ca(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a trigonal planar geometry to one Ba(4), one Ca(1), and one Sn(1) atom. In the twenty-seventh F site, F(27) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ca(1), and one Sn(4) atom. In the twenty-eighth F site, F(28) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one Sn(3) atom. is represented by the CIF file [CIF]
data_Ba2CaCuSn2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   7.789
_cell_length_c   15.647
_cell_angle_alpha   91.568
_cell_angle_beta   90.292
_cell_angle_gamma   110.820
_symmetry_Int_Tables_number   1
_cell_volume   639.108
_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  0.086  0.349  0.622  1.0
  Ba  Ba1  1  0.264  0.352  0.127  1.0
  Ba  Ba2  1  0.901  0.633  0.375  1.0
  Ba  Ba3  1  0.732  0.635  0.876  1.0
  Ca  Ca4  1  0.440  0.009  0.753  1.0
  Ca  Ca5  1  0.573  0.017  0.254  1.0
  Cu  Cu6  1  0.511  0.009  1.000  1.0
  Cu  Cu7  1  0.499  0.010  0.499  1.0
  Sn  Sn8  1  0.085  0.241  0.879  1.0
  Sn  Sn9  1  0.160  0.239  0.380  1.0
  Sn  Sn10  1  0.902  0.754  0.124  1.0
  Sn  Sn11  1  0.851  0.755  0.624  1.0
  F  F12  1  0.863  0.957  0.336  1.0
  F  F13  1  0.877  0.317  0.458  1.0
  F  F14  1  0.109  0.695  0.550  1.0
  F  F15  1  0.629  0.492  0.606  1.0
  F  F16  1  0.629  0.072  0.618  1.0
  F  F17  1  0.554  0.922  0.884  1.0
  F  F18  1  0.434  0.317  0.955  1.0
  F  F19  1  0.911  0.007  0.156  1.0
  F  F20  1  0.363  0.324  0.775  1.0
  F  F21  1  0.381  0.532  0.396  1.0
  F  F22  1  0.813  0.244  0.776  1.0
  F  F23  1  0.143  0.526  0.895  1.0
  F  F24  1  0.438  0.253  0.270  1.0
  F  F25  1  0.176  0.768  0.211  1.0
  F  F26  1  0.448  0.075  0.116  1.0
  F  F27  1  0.642  0.671  0.218  1.0
  F  F28  1  0.088  0.822  0.015  1.0
  F  F29  1  0.094  0.007  0.658  1.0
  F  F30  1  0.903  0.177  0.001  1.0
  F  F31  1  0.729  0.823  0.515  1.0
  F  F32  1  0.584  0.694  0.048  1.0
  F  F33  1  0.594  0.765  0.713  1.0
  F  F34  1  0.956  0.324  0.272  1.0
  F  F35  1  0.277  0.174  0.509  1.0
  F  F36  1  0.365  0.924  0.383  1.0
  F  F37  1  0.094  0.968  0.838  1.0
  F  F38  1  0.031  0.674  0.720  1.0
  F  F39  1  0.867  0.492  0.104  1.0
[/CIF]
.