The material structure described by CaMn6O5F7 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(5), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(5)O2F3 trigonal bipyramid, and  a faceface with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-74°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, corners with three equivalent Mn(5)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 29-72°. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), one F(4), one F(6), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(5)O2F3 trigonal bipyramid, and  a faceface with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-57°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(2), one O(5), one F(2), one F(6), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), and one F(5) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), one F(6), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(5)O2F3 trigonal bipyramid, corners with three equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-74°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted tetrahedral geometry to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_CaMn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.571
_cell_length_b   5.742
_cell_length_c   5.876
_cell_angle_alpha   73.535
_cell_angle_beta   67.860
_cell_angle_gamma   73.226
_symmetry_Int_Tables_number   1
_cell_volume   251.410
_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  0.457  0.715  0.750  1.0
  Mn  Mn1  1  0.839  0.688  0.653  1.0
  Mn  Mn2  1  0.704  0.330  0.339  1.0
  Mn  Mn3  1  0.206  0.665  0.525  1.0
  Mn  Mn4  1  0.143  0.244  0.321  1.0
  Mn  Mn5  1  0.536  0.022  0.086  1.0
  Mn  Mn6  1  0.984  0.017  0.999  1.0
  O  O7  1  0.709  0.535  0.532  1.0
  O  O8  1  0.948  0.211  0.236  1.0
  O  O9  1  0.735  0.107  0.116  1.0
  O  O10  1  0.007  0.841  0.735  1.0
  O  O11  1  0.330  0.922  0.406  1.0
  F  F12  1  0.622  0.017  0.681  1.0
  F  F13  1  0.361  0.367  0.021  1.0
  F  F14  1  0.233  0.972  0.951  1.0
  F  F15  1  0.427  0.422  0.460  1.0
  F  F16  1  0.641  0.644  0.027  1.0
  F  F17  1  0.078  0.365  0.674  1.0
  F  F18  1  0.056  0.667  0.289  1.0
[/CIF]
.
The material structure described by CaMn6O5F7 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(5), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with three equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(5)O2F3 trigonal bipyramid, and  a faceface with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-74°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, corners with three equivalent Mn(5)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 29-72°. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), one F(4), one F(6), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(5)O2F3 trigonal bipyramid, and  a faceface with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-57°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(2), one O(5), one F(2), one F(6), and one F(7) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one F(1), one F(2), and one F(5) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(4), one F(3), one F(6), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(5)O2F3 trigonal bipyramid, corners with three equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-74°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(3), one Mn(4), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Mn(2), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted tetrahedral geometry to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_CaMn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.571
_cell_length_b   5.742
_cell_length_c   5.876
_cell_angle_alpha   73.535
_cell_angle_beta   67.860
_cell_angle_gamma   73.226
_symmetry_Int_Tables_number   1
_cell_volume   251.410
_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  0.457  0.715  0.750  1.0
  Mn  Mn1  1  0.839  0.688  0.653  1.0
  Mn  Mn2  1  0.704  0.330  0.339  1.0
  Mn  Mn3  1  0.206  0.665  0.525  1.0
  Mn  Mn4  1  0.143  0.244  0.321  1.0
  Mn  Mn5  1  0.536  0.022  0.086  1.0
  Mn  Mn6  1  0.984  0.017  0.999  1.0
  O  O7  1  0.709  0.535  0.532  1.0
  O  O8  1  0.948  0.211  0.236  1.0
  O  O9  1  0.735  0.107  0.116  1.0
  O  O10  1  0.007  0.841  0.735  1.0
  O  O11  1  0.330  0.922  0.406  1.0
  F  F12  1  0.622  0.017  0.681  1.0
  F  F13  1  0.361  0.367  0.021  1.0
  F  F14  1  0.233  0.972  0.951  1.0
  F  F15  1  0.427  0.422  0.460  1.0
  F  F16  1  0.641  0.644  0.027  1.0
  F  F17  1  0.078  0.365  0.674  1.0
  F  F18  1  0.056  0.667  0.289  1.0
[/CIF]
.