The structure described by Ca2YbF7 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one F(1), one F(18), one F(2), one F(24), and one F(33) atom. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one F(3), one F(4), one F(6), and one F(9) atom. In the third Ca site, Ca(3) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(21), and one F(24) atom. In the fourth Ca site, Ca(4) is bonded in a distorted bent 120 degrees geometry to one F(11), one F(16), one F(19), and one F(8) atom. In the fifth Ca site, Ca(5) is bonded in a distorted bent 120 degrees geometry to one F(17), one F(20), one F(24), and one F(27) atom. In the sixth Ca site, Ca(6) is bonded in a 1-coordinate geometry to one F(11), one F(15), one F(20), one F(22), one F(23), and one F(25) atom. In the seventh Ca site, Ca(7) is bonded in a rectangular see-saw-like geometry to one F(10), one F(13), one F(22), and one F(25) atom. In the eighth Ca site, Ca(8) is bonded in a 2-coordinate geometry to one F(26), one F(28), one F(30), and one F(31) atom. In the ninth Ca site, Ca(9) is bonded in a 2-coordinate geometry to one F(17), one F(28), one F(31), one F(32), one F(35), and one F(6) atom. In the tenth Ca site, Ca(10) is bonded in a 2-coordinate geometry to one F(11), one F(2), one F(32), one F(33), and one F(34) atom. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 1-coordinate geometry to one F(15), one F(4), one F(5), one F(8), and one F(9) atom. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(1), one F(15), one F(18), one F(24), one F(35), and one F(8) atom. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(19), one F(25), one F(28), one F(3), one F(6), and one F(7) atom. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to one F(21), one F(26), one F(27), one F(29), and one F(30) atom. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one F(11), one F(14), one F(21), one F(27), one F(32), and one F(34) atom. There are thirty-five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Yb(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ca(10) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(2) and one Yb(3) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Ca(2) and one Yb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Yb(1) and one F(8) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(9), and one Yb(3) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Yb(3) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ca(4), one Yb(1), one Yb(2), and one F(5) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ca(2) and one Yb(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Ca(3) and one Ca(7) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(6), and one Yb(5) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Ca(3) atom. In the thirteenth F site, F(13) is bonded in a distorted L-shaped geometry to one Ca(3) and one Ca(7) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Yb(3) and one Yb(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ca(6), one Yb(1), and one Yb(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one Ca(4) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(9), and one F(32) atom. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), and one F(19) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ca(4), one Yb(3), and one F(18) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ca(5) and one Ca(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ca(3), one Yb(4), and one Yb(5) atom. In the twenty-second F site, F(22) is bonded in a water-like geometry to one Ca(6) and one Ca(7) atom. In the twenty-third F site, F(23) is bonded in a distorted single-bond geometry to one Ca(6) atom. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), and one Yb(2) atom. In the twenty-fifth F site, F(25) is bonded in an L-shaped geometry to one Ca(6), one Ca(7), and one Yb(3) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ca(8) and one Yb(4) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ca(5), one Yb(4), one Yb(5), and one F(29) atom. In the twenty-eighth F site, F(28) is bonded in a 3-coordinate geometry to one Ca(8), one Ca(9), and one Yb(3) atom. In the twenty-ninth F site, F(29) is bonded in a single-bond geometry to one Yb(4) and one F(27) atom. In the thirtieth F site, F(30) is bonded in an L-shaped geometry to one Ca(8) and one Yb(4) atom. In the thirty-first F site, F(31) is bonded in a distorted water-like geometry to one Ca(8) and one Ca(9) atom. In the thirty-second F site, F(32) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(9), one Yb(5), and one F(17) atom. In the thirty-third F site, F(33) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(10) atom. In the thirty-fourth F site, F(34) is bonded in a distorted single-bond geometry to one Ca(10) and one Yb(5) atom. In the thirty-fifth F site, F(35) is bonded in a distorted bent 150 degrees geometry to one Ca(9) and one Yb(2) atom. is represented by the CIF card [CIF]
data_Ca2YbF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.912
_cell_length_c   10.166
_cell_angle_alpha   115.876
_cell_angle_beta   115.499
_cell_angle_gamma   90.381
_symmetry_Int_Tables_number   1
_cell_volume   634.055
_cell_formula_units_Z   5
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
  Ca  Ca0  1  0.338  0.892  0.317  1.0
  Ca  Ca1  1  0.525  0.350  0.315  1.0
  Ca  Ca2  1  0.790  0.700  0.319  1.0
  Ca  Ca3  1  0.020  0.847  0.682  1.0
  Ca  Ca4  1  0.981  0.155  0.318  1.0
  Ca  Ca5  1  0.211  0.295  0.682  1.0
  Ca  Ca6  1  0.499  0.501  0.000  1.0
  Ca  Ca7  1  0.474  0.651  0.684  1.0
  Ca  Ca8  1  0.688  0.899  0.001  1.0
  Ca  Ca9  1  0.662  0.108  0.683  1.0
  Yb  Yb10  1  0.810  0.569  0.621  1.0
  Yb  Yb11  1  0.101  0.685  0.999  1.0
  Yb  Yb12  1  0.310  0.100  0.999  1.0
  Yb  Yb13  1  0.191  0.431  0.379  1.0
  Yb  Yb14  1  0.899  0.314  0.001  1.0
  F  F15  1  0.345  0.693  0.260  1.0
  F  F16  1  0.529  0.904  0.463  1.0
  F  F17  1  0.371  0.336  0.158  1.0
  F  F18  1  0.635  0.608  0.461  1.0
  F  F19  1  0.788  0.594  0.745  1.0
  F  F20  1  0.503  0.059  0.155  1.0
  F  F21  1  0.008  0.006  0.999  1.0
  F  F22  1  0.915  0.753  0.831  1.0
  F  F23  1  0.752  0.251  0.501  1.0
  F  F24  1  0.584  0.748  0.169  1.0
  F  F25  1  0.958  0.180  0.739  1.0
  F  F26  1  0.826  0.007  0.464  1.0
  F  F27  1  0.655  0.458  0.163  1.0
  F  F28  1  0.151  0.285  0.004  1.0
  F  F29  1  0.079  0.486  0.738  1.0
  F  F30  1  0.929  0.716  0.460  1.0
  F  F31  1  0.785  0.190  0.156  1.0
  F  F32  1  0.290  0.846  0.003  1.0
  F  F33  1  0.214  0.809  0.844  1.0
  F  F34  1  0.070  0.287  0.538  1.0
  F  F35  1  0.921  0.510  0.266  1.0
  F  F36  1  0.345  0.529  0.844  1.0
  F  F37  1  0.180  0.985  0.542  1.0
  F  F38  1  0.042  0.823  0.259  1.0
  F  F39  1  0.409  0.257  0.830  1.0
  F  F40  1  0.248  0.748  0.499  1.0
  F  F41  1  0.085  0.246  0.169  1.0
  F  F42  1  0.491  0.945  0.840  1.0
  F  F43  1  0.212  0.401  0.257  1.0
  F  F44  1  0.366  0.400  0.533  1.0
  F  F45  1  0.629  0.662  0.843  1.0
  F  F46  1  0.708  0.157  0.997  1.0
  F  F47  1  0.473  0.094  0.539  1.0
  F  F48  1  0.652  0.314  0.735  1.0
  F  F49  1  0.850  0.713  0.996  1.0
[/CIF]
.
The structure described by Ca2YbF7 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 2-coordinate geometry to one F(1), one F(18), one F(2), one F(24), and one F(33) atom. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one F(3), one F(4), one F(6), and one F(9) atom. In the third Ca site, Ca(3) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(21), and one F(24) atom. In the fourth Ca site, Ca(4) is bonded in a distorted bent 120 degrees geometry to one F(11), one F(16), one F(19), and one F(8) atom. In the fifth Ca site, Ca(5) is bonded in a distorted bent 120 degrees geometry to one F(17), one F(20), one F(24), and one F(27) atom. In the sixth Ca site, Ca(6) is bonded in a 1-coordinate geometry to one F(11), one F(15), one F(20), one F(22), one F(23), and one F(25) atom. In the seventh Ca site, Ca(7) is bonded in a rectangular see-saw-like geometry to one F(10), one F(13), one F(22), and one F(25) atom. In the eighth Ca site, Ca(8) is bonded in a 2-coordinate geometry to one F(26), one F(28), one F(30), and one F(31) atom. In the ninth Ca site, Ca(9) is bonded in a 2-coordinate geometry to one F(17), one F(28), one F(31), one F(32), one F(35), and one F(6) atom. In the tenth Ca site, Ca(10) is bonded in a 2-coordinate geometry to one F(11), one F(2), one F(32), one F(33), and one F(34) atom. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 1-coordinate geometry to one F(15), one F(4), one F(5), one F(8), and one F(9) atom. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(1), one F(15), one F(18), one F(24), one F(35), and one F(8) atom. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(19), one F(25), one F(28), one F(3), one F(6), and one F(7) atom. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to one F(21), one F(26), one F(27), one F(29), and one F(30) atom. In the fifth Yb site, Yb(5) is bonded in a 6-coordinate geometry to one F(11), one F(14), one F(21), one F(27), one F(32), and one F(34) atom. There are thirty-five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Yb(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ca(10) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Ca(2) and one Yb(3) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Ca(2) and one Yb(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Yb(1) and one F(8) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(9), and one Yb(3) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Yb(3) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ca(4), one Yb(1), one Yb(2), and one F(5) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ca(2) and one Yb(1) atom. In the tenth F site, F(10) is bonded in an L-shaped geometry to one Ca(3) and one Ca(7) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(6), and one Yb(5) atom. In the twelfth F site, F(12) is bonded in a single-bond geometry to one Ca(3) atom. In the thirteenth F site, F(13) is bonded in a distorted L-shaped geometry to one Ca(3) and one Ca(7) atom. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Yb(3) and one Yb(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ca(6), one Yb(1), and one Yb(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Ca(3) and one Ca(4) atom. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(9), and one F(32) atom. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), and one F(19) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ca(4), one Yb(3), and one F(18) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ca(5) and one Ca(6) atom. In the twenty-first F site, F(21) is bonded in a 3-coordinate geometry to one Ca(3), one Yb(4), and one Yb(5) atom. In the twenty-second F site, F(22) is bonded in a water-like geometry to one Ca(6) and one Ca(7) atom. In the twenty-third F site, F(23) is bonded in a distorted single-bond geometry to one Ca(6) atom. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), and one Yb(2) atom. In the twenty-fifth F site, F(25) is bonded in an L-shaped geometry to one Ca(6), one Ca(7), and one Yb(3) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ca(8) and one Yb(4) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ca(5), one Yb(4), one Yb(5), and one F(29) atom. In the twenty-eighth F site, F(28) is bonded in a 3-coordinate geometry to one Ca(8), one Ca(9), and one Yb(3) atom. In the twenty-ninth F site, F(29) is bonded in a single-bond geometry to one Yb(4) and one F(27) atom. In the thirtieth F site, F(30) is bonded in an L-shaped geometry to one Ca(8) and one Yb(4) atom. In the thirty-first F site, F(31) is bonded in a distorted water-like geometry to one Ca(8) and one Ca(9) atom. In the thirty-second F site, F(32) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(9), one Yb(5), and one F(17) atom. In the thirty-third F site, F(33) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(10) atom. In the thirty-fourth F site, F(34) is bonded in a distorted single-bond geometry to one Ca(10) and one Yb(5) atom. In the thirty-fifth F site, F(35) is bonded in a distorted bent 150 degrees geometry to one Ca(9) and one Yb(2) atom. is represented by the CIF card [CIF]
data_Ca2YbF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.912
_cell_length_c   10.166
_cell_angle_alpha   115.876
_cell_angle_beta   115.499
_cell_angle_gamma   90.381
_symmetry_Int_Tables_number   1
_cell_volume   634.055
_cell_formula_units_Z   5
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
  Ca  Ca0  1  0.338  0.892  0.317  1.0
  Ca  Ca1  1  0.525  0.350  0.315  1.0
  Ca  Ca2  1  0.790  0.700  0.319  1.0
  Ca  Ca3  1  0.020  0.847  0.682  1.0
  Ca  Ca4  1  0.981  0.155  0.318  1.0
  Ca  Ca5  1  0.211  0.295  0.682  1.0
  Ca  Ca6  1  0.499  0.501  0.000  1.0
  Ca  Ca7  1  0.474  0.651  0.684  1.0
  Ca  Ca8  1  0.688  0.899  0.001  1.0
  Ca  Ca9  1  0.662  0.108  0.683  1.0
  Yb  Yb10  1  0.810  0.569  0.621  1.0
  Yb  Yb11  1  0.101  0.685  0.999  1.0
  Yb  Yb12  1  0.310  0.100  0.999  1.0
  Yb  Yb13  1  0.191  0.431  0.379  1.0
  Yb  Yb14  1  0.899  0.314  0.001  1.0
  F  F15  1  0.345  0.693  0.260  1.0
  F  F16  1  0.529  0.904  0.463  1.0
  F  F17  1  0.371  0.336  0.158  1.0
  F  F18  1  0.635  0.608  0.461  1.0
  F  F19  1  0.788  0.594  0.745  1.0
  F  F20  1  0.503  0.059  0.155  1.0
  F  F21  1  0.008  0.006  0.999  1.0
  F  F22  1  0.915  0.753  0.831  1.0
  F  F23  1  0.752  0.251  0.501  1.0
  F  F24  1  0.584  0.748  0.169  1.0
  F  F25  1  0.958  0.180  0.739  1.0
  F  F26  1  0.826  0.007  0.464  1.0
  F  F27  1  0.655  0.458  0.163  1.0
  F  F28  1  0.151  0.285  0.004  1.0
  F  F29  1  0.079  0.486  0.738  1.0
  F  F30  1  0.929  0.716  0.460  1.0
  F  F31  1  0.785  0.190  0.156  1.0
  F  F32  1  0.290  0.846  0.003  1.0
  F  F33  1  0.214  0.809  0.844  1.0
  F  F34  1  0.070  0.287  0.538  1.0
  F  F35  1  0.921  0.510  0.266  1.0
  F  F36  1  0.345  0.529  0.844  1.0
  F  F37  1  0.180  0.985  0.542  1.0
  F  F38  1  0.042  0.823  0.259  1.0
  F  F39  1  0.409  0.257  0.830  1.0
  F  F40  1  0.248  0.748  0.499  1.0
  F  F41  1  0.085  0.246  0.169  1.0
  F  F42  1  0.491  0.945  0.840  1.0
  F  F43  1  0.212  0.401  0.257  1.0
  F  F44  1  0.366  0.400  0.533  1.0
  F  F45  1  0.629  0.662  0.843  1.0
  F  F46  1  0.708  0.157  0.997  1.0
  F  F47  1  0.473  0.094  0.539  1.0
  F  F48  1  0.652  0.314  0.735  1.0
  F  F49  1  0.850  0.713  0.996  1.0
[/CIF]
.