The material described by Ca2HoF7 crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one F(1), one F(17), two equivalent F(21), and three equivalent F(20) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one F(2), one F(20), two equivalent F(21), and three equivalent F(1) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one F(4), two equivalent F(2), and three equivalent F(3) atoms. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one F(7), two equivalent F(4), and three equivalent F(6) atoms. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one F(10), two equivalent F(7), two equivalent F(9), and three equivalent F(5) atoms. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one F(13), two equivalent F(17), two equivalent F(18), and three equivalent F(19) atoms. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 10-coordinate geometry to one F(12), one F(14), one F(5), two equivalent F(8), two equivalent F(9), and three equivalent F(10) atoms. In the second Ho site, Ho(2) is bonded in a 10-coordinate geometry to one F(15), one F(16), one F(8), two equivalent F(11), two equivalent F(12), and three equivalent F(14) atoms. In the third Ho site, Ho(3) is bonded in a 9-coordinate geometry to one F(11), one F(18), two equivalent F(13), two equivalent F(15), and three equivalent F(16) atoms. There are twenty-one inequivalent F sites. In the first F site, F(1) is bonded to one Ca(1) and three equivalent Ca(2) atoms to form a mixture of distorted edge and corner-sharing FCa4 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(2) and two equivalent Ca(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ca(3) and two equivalent Ca(4) atoms. In the fifth F site, F(5) is bonded to three equivalent Ca(5) and one Ho(1) atom to form distorted FCa3Ho tetrahedra that share corners with six equivalent F(5)Ca3Ho tetrahedra and edges with three equivalent F(10)CaHo3 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal planar geometry to three equivalent Ca(4) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ca(4) and two equivalent Ca(5) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(5) and two equivalent Ho(1) atoms. In the tenth F site, F(10) is bonded to one Ca(5) and three equivalent Ho(1) atoms to form distorted FCaHo3 tetrahedra that share corners with six equivalent F(10)CaHo3 tetrahedra and edges with three equivalent F(5)Ca3Ho tetrahedra. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Ho(3) and two equivalent Ho(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Ca(6) and two equivalent Ho(3) atoms. In the fourteenth F site, F(14) is bonded in a distorted single-bond geometry to one Ho(1) and three equivalent Ho(2) atoms. In the fifteenth F site, F(15) is bonded in a trigonal non-coplanar geometry to one Ho(2) and two equivalent Ho(3) atoms. In the sixteenth F site, F(16) is bonded in a distorted single-bond geometry to one Ho(2) and three equivalent Ho(3) atoms. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ca(6) atoms. In the eighteenth F site, F(18) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(6) and one Ho(3) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to three equivalent Ca(6) atoms. In the twentieth F site, F(20) is bonded to one Ca(2) and three equivalent Ca(1) atoms to form a mixture of distorted edge and corner-sharing FCa4 trigonal pyramids. In the twenty-first F site, F(21) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_Ca2HoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   4.305
_cell_length_c   30.336
_cell_angle_alpha   84.614
_cell_angle_beta   84.614
_cell_angle_gamma   50.684
_symmetry_Int_Tables_number   1
_cell_volume   432.557
_cell_formula_units_Z   3
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  0.985  0.985  0.002  1.0
  Ca  Ca1  1  0.693  0.693  0.089  1.0
  Ca  Ca2  1  0.111  0.111  0.211  1.0
  Ca  Ca3  1  0.526  0.526  0.334  1.0
  Ca  Ca4  1  0.097  0.097  0.455  1.0
  Ca  Ca5  1  0.476  0.476  0.876  1.0
  Ho  Ho6  1  0.826  0.826  0.549  1.0
  Ho  Ho7  1  0.391  0.391  0.658  1.0
  Ho  Ho8  1  0.954  0.954  0.767  1.0
  F  F9  1  0.012  0.012  0.094  1.0
  F  F10  1  0.694  0.694  0.164  1.0
  F  F11  1  0.414  0.414  0.222  1.0
  F  F12  1  0.112  0.112  0.286  1.0
  F  F13  1  0.784  0.784  0.469  1.0
  F  F14  1  0.831  0.831  0.344  1.0
  F  F15  1  0.537  0.537  0.408  1.0
  F  F16  1  0.326  0.326  0.586  1.0
  F  F17  1  0.448  0.448  0.505  1.0
  F  F18  1  0.120  0.120  0.531  1.0
  F  F19  1  0.875  0.875  0.695  1.0
  F  F20  1  0.980  0.980  0.611  1.0
  F  F21  1  0.403  0.403  0.805  1.0
  F  F22  1  0.667  0.667  0.636  1.0
  F  F23  1  0.537  0.537  0.721  1.0
  F  F24  1  0.225  0.225  0.744  1.0
  F  F25  1  0.015  0.015  0.935  1.0
  F  F26  1  0.075  0.075  0.831  1.0
  F  F27  1  0.766  0.766  0.883  1.0
  F  F28  1  0.664  0.664  0.010  1.0
  F  F29  1  0.339  0.339  0.050  1.0
[/CIF]
.
The material described by Ca2HoF7 crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one F(1), one F(17), two equivalent F(21), and three equivalent F(20) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one F(2), one F(20), two equivalent F(21), and three equivalent F(1) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one F(4), two equivalent F(2), and three equivalent F(3) atoms. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one F(7), two equivalent F(4), and three equivalent F(6) atoms. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one F(10), two equivalent F(7), two equivalent F(9), and three equivalent F(5) atoms. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one F(13), two equivalent F(17), two equivalent F(18), and three equivalent F(19) atoms. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 10-coordinate geometry to one F(12), one F(14), one F(5), two equivalent F(8), two equivalent F(9), and three equivalent F(10) atoms. In the second Ho site, Ho(2) is bonded in a 10-coordinate geometry to one F(15), one F(16), one F(8), two equivalent F(11), two equivalent F(12), and three equivalent F(14) atoms. In the third Ho site, Ho(3) is bonded in a 9-coordinate geometry to one F(11), one F(18), two equivalent F(13), two equivalent F(15), and three equivalent F(16) atoms. There are twenty-one inequivalent F sites. In the first F site, F(1) is bonded to one Ca(1) and three equivalent Ca(2) atoms to form a mixture of distorted edge and corner-sharing FCa4 trigonal pyramids. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(2) and two equivalent Ca(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ca(3) and two equivalent Ca(4) atoms. In the fifth F site, F(5) is bonded to three equivalent Ca(5) and one Ho(1) atom to form distorted FCa3Ho tetrahedra that share corners with six equivalent F(5)Ca3Ho tetrahedra and edges with three equivalent F(10)CaHo3 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal planar geometry to three equivalent Ca(4) atoms. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Ca(4) and two equivalent Ca(5) atoms. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Ho(2) and two equivalent Ho(1) atoms. In the ninth F site, F(9) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(5) and two equivalent Ho(1) atoms. In the tenth F site, F(10) is bonded to one Ca(5) and three equivalent Ho(1) atoms to form distorted FCaHo3 tetrahedra that share corners with six equivalent F(10)CaHo3 tetrahedra and edges with three equivalent F(5)Ca3Ho tetrahedra. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Ho(3) and two equivalent Ho(2) atoms. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Ca(6) and two equivalent Ho(3) atoms. In the fourteenth F site, F(14) is bonded in a distorted single-bond geometry to one Ho(1) and three equivalent Ho(2) atoms. In the fifteenth F site, F(15) is bonded in a trigonal non-coplanar geometry to one Ho(2) and two equivalent Ho(3) atoms. In the sixteenth F site, F(16) is bonded in a distorted single-bond geometry to one Ho(2) and three equivalent Ho(3) atoms. In the seventeenth F site, F(17) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ca(6) atoms. In the eighteenth F site, F(18) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(6) and one Ho(3) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal planar geometry to three equivalent Ca(6) atoms. In the twentieth F site, F(20) is bonded to one Ca(2) and three equivalent Ca(1) atoms to form a mixture of distorted edge and corner-sharing FCa4 trigonal pyramids. In the twenty-first F site, F(21) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_Ca2HoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.305
_cell_length_b   4.305
_cell_length_c   30.336
_cell_angle_alpha   84.614
_cell_angle_beta   84.614
_cell_angle_gamma   50.684
_symmetry_Int_Tables_number   1
_cell_volume   432.557
_cell_formula_units_Z   3
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  0.985  0.985  0.002  1.0
  Ca  Ca1  1  0.693  0.693  0.089  1.0
  Ca  Ca2  1  0.111  0.111  0.211  1.0
  Ca  Ca3  1  0.526  0.526  0.334  1.0
  Ca  Ca4  1  0.097  0.097  0.455  1.0
  Ca  Ca5  1  0.476  0.476  0.876  1.0
  Ho  Ho6  1  0.826  0.826  0.549  1.0
  Ho  Ho7  1  0.391  0.391  0.658  1.0
  Ho  Ho8  1  0.954  0.954  0.767  1.0
  F  F9  1  0.012  0.012  0.094  1.0
  F  F10  1  0.694  0.694  0.164  1.0
  F  F11  1  0.414  0.414  0.222  1.0
  F  F12  1  0.112  0.112  0.286  1.0
  F  F13  1  0.784  0.784  0.469  1.0
  F  F14  1  0.831  0.831  0.344  1.0
  F  F15  1  0.537  0.537  0.408  1.0
  F  F16  1  0.326  0.326  0.586  1.0
  F  F17  1  0.448  0.448  0.505  1.0
  F  F18  1  0.120  0.120  0.531  1.0
  F  F19  1  0.875  0.875  0.695  1.0
  F  F20  1  0.980  0.980  0.611  1.0
  F  F21  1  0.403  0.403  0.805  1.0
  F  F22  1  0.667  0.667  0.636  1.0
  F  F23  1  0.537  0.537  0.721  1.0
  F  F24  1  0.225  0.225  0.744  1.0
  F  F25  1  0.015  0.015  0.935  1.0
  F  F26  1  0.075  0.075  0.831  1.0
  F  F27  1  0.766  0.766  0.883  1.0
  F  F28  1  0.664  0.664  0.010  1.0
  F  F29  1  0.339  0.339  0.050  1.0
[/CIF]
.