The crystal structure described by Ca2LaF7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(2), one F(5), three equivalent F(1), and three equivalent F(3) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to one F(1), one F(7), three equivalent F(4), and three equivalent F(5) atoms. La(1) is bonded in a 11-coordinate geometry to one F(3), one F(4), three equivalent F(2), three equivalent F(6), and three equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Ca(2) and three equivalent Ca(1) atoms to form FCa4 tetrahedra that share  a cornercorner with one F(7)CaLa3 tetrahedra, corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(4)Ca3La tetrahedra, corners with six equivalent F(1)Ca4 tetrahedra, edges with three equivalent F(3)Ca3La tetrahedra, and edges with three equivalent F(5)Ca4 tetrahedra. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent La(1) atoms. In the third F site, F(3) is bonded to three equivalent Ca(1) and one La(1) atom to form FCa3La tetrahedra that share  a cornercorner with one F(4)Ca3La tetrahedra, corners with three equivalent F(1)Ca4 tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with three equivalent F(7)CaLa3 tetrahedra, corners with six equivalent F(3)Ca3La tetrahedra, and edges with three equivalent F(1)Ca4 tetrahedra. In the fourth F site, F(4) is bonded to three equivalent Ca(2) and one La(1) atom to form FCa3La tetrahedra that share  a cornercorner with one F(3)Ca3La tetrahedra, corners with three equivalent F(1)Ca4 tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with six equivalent F(4)Ca3La tetrahedra, edges with three equivalent F(5)Ca4 tetrahedra, and edges with three equivalent F(7)CaLa3 tetrahedra. In the fifth F site, F(5) is bonded to one Ca(1) and three equivalent Ca(2) atoms to form FCa4 tetrahedra that share corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(4)Ca3La tetrahedra, corners with three equivalent F(7)CaLa3 tetrahedra, corners with six equivalent F(5)Ca4 tetrahedra, edges with three equivalent F(4)Ca3La tetrahedra, and edges with three equivalent F(1)Ca4 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the seventh F site, F(7) is bonded to one Ca(2) and three equivalent La(1) atoms to form distorted FCaLa3 tetrahedra that share  a cornercorner with one F(1)Ca4 tetrahedra, corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with six equivalent F(7)CaLa3 tetrahedra, and edges with three equivalent F(4)Ca3La tetrahedra. is represented by the CIF card [CIF]
data_Ca2LaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   9.888
_cell_angle_alpha   89.152
_cell_angle_beta   89.152
_cell_angle_gamma   61.416
_symmetry_Int_Tables_number   1
_cell_volume   138.957
_cell_formula_units_Z   1
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  0.654  0.654  0.665  1.0
  Ca  Ca1  1  0.343  0.343  0.352  1.0
  La  La2  1  0.034  0.034  0.000  1.0
  F  F3  1  0.335  0.335  0.583  1.0
  F  F4  1  0.369  0.369  0.873  1.0
  F  F5  1  0.011  0.011  0.742  1.0
  F  F6  1  0.015  0.015  0.264  1.0
  F  F7  1  0.674  0.674  0.428  1.0
  F  F8  1  0.698  0.698  0.986  1.0
  F  F9  1  0.359  0.359  0.124  1.0
[/CIF]
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The crystal structure described by Ca2LaF7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one F(2), one F(5), three equivalent F(1), and three equivalent F(3) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to one F(1), one F(7), three equivalent F(4), and three equivalent F(5) atoms. La(1) is bonded in a 11-coordinate geometry to one F(3), one F(4), three equivalent F(2), three equivalent F(6), and three equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Ca(2) and three equivalent Ca(1) atoms to form FCa4 tetrahedra that share  a cornercorner with one F(7)CaLa3 tetrahedra, corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(4)Ca3La tetrahedra, corners with six equivalent F(1)Ca4 tetrahedra, edges with three equivalent F(3)Ca3La tetrahedra, and edges with three equivalent F(5)Ca4 tetrahedra. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent La(1) atoms. In the third F site, F(3) is bonded to three equivalent Ca(1) and one La(1) atom to form FCa3La tetrahedra that share  a cornercorner with one F(4)Ca3La tetrahedra, corners with three equivalent F(1)Ca4 tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with three equivalent F(7)CaLa3 tetrahedra, corners with six equivalent F(3)Ca3La tetrahedra, and edges with three equivalent F(1)Ca4 tetrahedra. In the fourth F site, F(4) is bonded to three equivalent Ca(2) and one La(1) atom to form FCa3La tetrahedra that share  a cornercorner with one F(3)Ca3La tetrahedra, corners with three equivalent F(1)Ca4 tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with six equivalent F(4)Ca3La tetrahedra, edges with three equivalent F(5)Ca4 tetrahedra, and edges with three equivalent F(7)CaLa3 tetrahedra. In the fifth F site, F(5) is bonded to one Ca(1) and three equivalent Ca(2) atoms to form FCa4 tetrahedra that share corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(4)Ca3La tetrahedra, corners with three equivalent F(7)CaLa3 tetrahedra, corners with six equivalent F(5)Ca4 tetrahedra, edges with three equivalent F(4)Ca3La tetrahedra, and edges with three equivalent F(1)Ca4 tetrahedra. In the sixth F site, F(6) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the seventh F site, F(7) is bonded to one Ca(2) and three equivalent La(1) atoms to form distorted FCaLa3 tetrahedra that share  a cornercorner with one F(1)Ca4 tetrahedra, corners with three equivalent F(3)Ca3La tetrahedra, corners with three equivalent F(5)Ca4 tetrahedra, corners with six equivalent F(7)CaLa3 tetrahedra, and edges with three equivalent F(4)Ca3La tetrahedra. is represented by the CIF card [CIF]
data_Ca2LaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   9.888
_cell_angle_alpha   89.152
_cell_angle_beta   89.152
_cell_angle_gamma   61.416
_symmetry_Int_Tables_number   1
_cell_volume   138.957
_cell_formula_units_Z   1
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  0.654  0.654  0.665  1.0
  Ca  Ca1  1  0.343  0.343  0.352  1.0
  La  La2  1  0.034  0.034  0.000  1.0
  F  F3  1  0.335  0.335  0.583  1.0
  F  F4  1  0.369  0.369  0.873  1.0
  F  F5  1  0.011  0.011  0.742  1.0
  F  F6  1  0.015  0.015  0.264  1.0
  F  F7  1  0.674  0.674  0.428  1.0
  F  F8  1  0.698  0.698  0.986  1.0
  F  F9  1  0.359  0.359  0.124  1.0
[/CIF]
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