The material structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(3), one O(4), one F(2), one F(3), one F(5), and one F(7) atom to form distorted CaO2F4 octahedra that share  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, edges with two equivalent Mn(5)O2F4 octahedra, edges with two equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one F(3), one F(5), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(5), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), and one F(4) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Ca(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-67°. 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 MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Ca(1)O2F4 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(3)O2F3 trigonal bipyramid,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and edges with two equivalent Ca(1)O2F4 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Mn(1), one Mn(3), and one Mn(5) atom to form OCaMn3 tetrahedra that share  a cornercorner with one F(3)CaMn3 trigonal pyramid,  an edgeedge with one F(3)CaMn3 trigonal pyramid, and  an edgeedge with one F(5)CaMn3 trigonal pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FCaMn3 trigonal pyramids that share  a cornercorner with one O(4)CaMn3 tetrahedra, corners with three equivalent F(5)CaMn3 trigonal pyramids, and  an edgeedge with one O(4)CaMn3 tetrahedra. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fifth F site, F(5) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FCaMn3 trigonal pyramids that share corners with three equivalent F(3)CaMn3 trigonal pyramids and  an edgeedge with one O(4)CaMn3 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to 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   5.685
_cell_length_b   7.794
_cell_length_c   6.224
_cell_angle_alpha   97.234
_cell_angle_beta   101.316
_cell_angle_gamma   81.908
_symmetry_Int_Tables_number   1
_cell_volume   266.380
_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  0.519  0.196  0.193  1.0
  Mn  Mn1  1  0.418  0.965  0.563  1.0
  Mn  Mn2  1  0.679  0.684  0.174  1.0
  Mn  Mn3  1  0.541  0.369  0.765  1.0
  Mn  Mn4  1  0.940  0.659  0.673  1.0
  Mn  Mn5  1  0.020  0.330  0.330  1.0
  Mn  Mn6  1  0.013  0.968  0.996  1.0
  O  O7  1  0.832  0.748  0.945  1.0
  O  O8  1  0.654  0.750  0.487  1.0
  O  O9  1  0.683  0.434  0.109  1.0
  O  O10  1  0.356  0.224  0.496  1.0
  F  F11  1  0.820  0.400  0.601  1.0
  F  F12  1  0.898  0.070  0.295  1.0
  F  F13  1  0.644  0.094  0.856  1.0
  F  F14  1  0.257  0.562  0.825  1.0
  F  F15  1  0.394  0.908  0.162  1.0
  F  F16  1  0.071  0.598  0.394  1.0
  F  F17  1  0.135  0.217  0.021  1.0
  F  F18  1  0.140  0.899  0.700  1.0
[/CIF]
.
The material structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(3), one O(4), one F(2), one F(3), one F(5), and one F(7) atom to form distorted CaO2F4 octahedra that share  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, edges with two equivalent Mn(5)O2F4 octahedra, edges with two equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one F(3), one F(5), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(5), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), and one F(4) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)O2F4 octahedra, and  an edgeedge with one Ca(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-67°. 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 MnO2F4 octahedra that share corners with two equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Ca(1)O2F4 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(3)O2F3 trigonal bipyramid,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and edges with two equivalent Ca(1)O2F4 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Mn(1), one Mn(3), and one Mn(5) atom to form OCaMn3 tetrahedra that share  a cornercorner with one F(3)CaMn3 trigonal pyramid,  an edgeedge with one F(3)CaMn3 trigonal pyramid, and  an edgeedge with one F(5)CaMn3 trigonal pyramid. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FCaMn3 trigonal pyramids that share  a cornercorner with one O(4)CaMn3 tetrahedra, corners with three equivalent F(5)CaMn3 trigonal pyramids, and  an edgeedge with one O(4)CaMn3 tetrahedra. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fifth F site, F(5) is bonded to one Ca(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FCaMn3 trigonal pyramids that share corners with three equivalent F(3)CaMn3 trigonal pyramids and  an edgeedge with one O(4)CaMn3 tetrahedra. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to 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   5.685
_cell_length_b   7.794
_cell_length_c   6.224
_cell_angle_alpha   97.234
_cell_angle_beta   101.316
_cell_angle_gamma   81.908
_symmetry_Int_Tables_number   1
_cell_volume   266.380
_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  0.519  0.196  0.193  1.0
  Mn  Mn1  1  0.418  0.965  0.563  1.0
  Mn  Mn2  1  0.679  0.684  0.174  1.0
  Mn  Mn3  1  0.541  0.369  0.765  1.0
  Mn  Mn4  1  0.940  0.659  0.673  1.0
  Mn  Mn5  1  0.020  0.330  0.330  1.0
  Mn  Mn6  1  0.013  0.968  0.996  1.0
  O  O7  1  0.832  0.748  0.945  1.0
  O  O8  1  0.654  0.750  0.487  1.0
  O  O9  1  0.683  0.434  0.109  1.0
  O  O10  1  0.356  0.224  0.496  1.0
  F  F11  1  0.820  0.400  0.601  1.0
  F  F12  1  0.898  0.070  0.295  1.0
  F  F13  1  0.644  0.094  0.856  1.0
  F  F14  1  0.257  0.562  0.825  1.0
  F  F15  1  0.394  0.908  0.162  1.0
  F  F16  1  0.071  0.598  0.394  1.0
  F  F17  1  0.135  0.217  0.021  1.0
  F  F18  1  0.140  0.899  0.700  1.0
[/CIF]
.