The material structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid, corners with three equivalent Mn(6)OF4 trigonal bipyramids, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(6) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(4)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 15-50°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(6)OF4 trigonal bipyramid, and  a faceface with one Mn(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-53°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(3), one O(4), one F(2), one F(6), and one F(7) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(7), and one F(8) atom to form distorted MnOF4 trigonal bipyramids that share corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-73°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OCaMn3 trigonal pyramids that share corners with three equivalent F(6)CaMn3 tetrahedra and  an edgeedge with one O(3)CaMn3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one F(6)CaMn3 tetrahedra,  an edgeedge with one F(6)CaMn3 tetrahedra, and  an edgeedge with one O(1)CaMn3 trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Ca(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(5) atom to form distorted FCaMn3 tetrahedra that share  a cornercorner with one O(3)CaMn3 tetrahedra, corners with three equivalent O(1)CaMn3 trigonal pyramids, and  an edgeedge with one O(3)CaMn3 tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   7.790
_cell_length_c   5.962
_cell_angle_alpha   92.640
_cell_angle_beta   79.746
_cell_angle_gamma   93.490
_symmetry_Int_Tables_number   1
_cell_volume   258.796
_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  0.413  0.734  0.945  1.0
  Mn  Mn1  1  0.540  0.998  0.498  1.0
  Mn  Mn2  1  0.724  0.598  0.255  1.0
  Mn  Mn3  1  0.465  0.333  0.791  1.0
  Mn  Mn4  1  0.957  0.685  0.653  1.0
  Mn  Mn5  1  0.211  0.324  0.310  1.0
  Mn  Mn6  1  0.917  0.014  0.988  1.0
  O  O7  1  0.812  0.759  0.981  1.0
  O  O8  1  0.676  0.781  0.528  1.0
  O  O9  1  0.503  0.450  0.077  1.0
  O  O10  1  0.391  0.217  0.522  1.0
  F  F11  1  0.762  0.441  0.602  1.0
  F  F12  1  0.871  0.110  0.326  1.0
  F  F13  1  0.649  0.098  0.814  1.0
  F  F14  1  0.244  0.537  0.716  1.0
  F  F15  1  0.381  0.930  0.230  1.0
  F  F16  1  0.090  0.586  0.297  1.0
  F  F17  1  0.150  0.235  0.976  1.0
  F  F18  1  0.216  0.902  0.729  1.0
[/CIF]
.
The material structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(4), one F(5), one F(6), and one F(8) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid, corners with three equivalent Mn(6)OF4 trigonal bipyramids, and  an edgeedge with one Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(6) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(1)O2F4 octahedra,  a cornercorner with one Mn(4)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(6)OF4 trigonal bipyramid, and  a faceface with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(2)O3F2 trigonal bipyramids, corners with two equivalent Mn(6)OF4 trigonal bipyramids, and  an edgeedge with one Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 15-50°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid,  an edgeedge with one Mn(6)OF4 trigonal bipyramid, and  a faceface with one Mn(2)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 15-53°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(3), one O(4), one F(2), one F(6), and one F(7) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(7), and one F(8) atom to form distorted MnOF4 trigonal bipyramids that share corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)O2F4 octahedra,  a cornercorner with one Mn(2)O3F2 trigonal bipyramid, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-73°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom to form OCaMn3 trigonal pyramids that share corners with three equivalent F(6)CaMn3 tetrahedra and  an edgeedge with one O(3)CaMn3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Ca(1), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one F(6)CaMn3 tetrahedra,  an edgeedge with one F(6)CaMn3 tetrahedra, and  an edgeedge with one O(1)CaMn3 trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Ca(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the sixth F site, F(6) is bonded to one Ca(1), one Mn(2), one Mn(4), and one Mn(5) atom to form distorted FCaMn3 tetrahedra that share  a cornercorner with one O(3)CaMn3 tetrahedra, corners with three equivalent O(1)CaMn3 trigonal pyramids, and  an edgeedge with one O(3)CaMn3 tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.677
_cell_length_b   7.790
_cell_length_c   5.962
_cell_angle_alpha   92.640
_cell_angle_beta   79.746
_cell_angle_gamma   93.490
_symmetry_Int_Tables_number   1
_cell_volume   258.796
_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  0.413  0.734  0.945  1.0
  Mn  Mn1  1  0.540  0.998  0.498  1.0
  Mn  Mn2  1  0.724  0.598  0.255  1.0
  Mn  Mn3  1  0.465  0.333  0.791  1.0
  Mn  Mn4  1  0.957  0.685  0.653  1.0
  Mn  Mn5  1  0.211  0.324  0.310  1.0
  Mn  Mn6  1  0.917  0.014  0.988  1.0
  O  O7  1  0.812  0.759  0.981  1.0
  O  O8  1  0.676  0.781  0.528  1.0
  O  O9  1  0.503  0.450  0.077  1.0
  O  O10  1  0.391  0.217  0.522  1.0
  F  F11  1  0.762  0.441  0.602  1.0
  F  F12  1  0.871  0.110  0.326  1.0
  F  F13  1  0.649  0.098  0.814  1.0
  F  F14  1  0.244  0.537  0.716  1.0
  F  F15  1  0.381  0.930  0.230  1.0
  F  F16  1  0.090  0.586  0.297  1.0
  F  F17  1  0.150  0.235  0.976  1.0
  F  F18  1  0.216  0.902  0.729  1.0
[/CIF]
.