The crystal structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(6) atom to form distorted CaO3F3 octahedra that share corners with two equivalent Mn(1)O2F3 square pyramids,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(5)O2F4 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 to one O(2), one O(4), one F(3), one F(5), and one F(8) atom to form distorted MnO2F3 square pyramids that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Ca(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-60°. 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(3), one F(4), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)O3F3 octahedra,  a cornercorner with one Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Ca(1)O3F3 octahedra, and  an edgeedge with one Mn(1)O2F3 square pyramid. The corner-sharing octahedral tilt angles range from 38-64°. 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(1)O2F3 square pyramids,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Ca(1)O3F3 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  a cornercorner with one Mn(1)O2F3 square pyramid, 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)O3F3 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 corners with three equivalent Mn(1)O2F3 square pyramids, corners with two equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)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 to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one F(6)CaMn3 trigonal pyramid, corners with two equivalent O(4)CaMn3 trigonal pyramids,  an edgeedge with one O(3)CaMn3 trigonal pyramid, and  an edgeedge with one F(6)CaMn3 trigonal pyramid. 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 OCaMn3 trigonal pyramids that share  a cornercorner with one F(6)CaMn3 trigonal pyramid, corners with three equivalent O(4)CaMn3 trigonal pyramids,  an edgeedge with one O(2)CaMn3 tetrahedra, and  an edgeedge with one F(6)CaMn3 trigonal pyramid. 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 distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(2)CaMn3 tetrahedra, corners with three equivalent O(3)CaMn3 trigonal pyramids, and  an edgeedge with one F(6)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 Ca(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Mn(5) and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted 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 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(6) 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 trigonal pyramids that share  a cornercorner with one O(2)CaMn3 tetrahedra,  a cornercorner with one O(3)CaMn3 trigonal pyramid,  an edgeedge with one O(2)CaMn3 tetrahedra,  an edgeedge with one O(3)CaMn3 trigonal pyramid, and  an edgeedge with one O(4)CaMn3 trigonal pyramid. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped 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   5.540
_cell_length_b   7.824
_cell_length_c   6.171
_cell_angle_alpha   96.723
_cell_angle_beta   99.166
_cell_angle_gamma   83.069
_symmetry_Int_Tables_number   1
_cell_volume   260.833
_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  0.469  0.492  0.467  1.0
  Mn  Mn1  1  0.475  0.995  0.513  1.0
  Mn  Mn2  1  0.696  0.685  0.148  1.0
  Mn  Mn3  1  0.432  0.310  0.892  1.0
  Mn  Mn4  1  0.969  0.684  0.663  1.0
  Mn  Mn5  1  0.972  0.300  0.344  1.0
  Mn  Mn6  1  0.024  0.990  0.990  1.0
  O  O7  1  0.882  0.759  0.937  1.0
  O  O8  1  0.659  0.761  0.485  1.0
  O  O9  1  0.642  0.431  0.159  1.0
  O  O10  1  0.325  0.233  0.534  1.0
  F  F11  1  0.846  0.424  0.642  1.0
  F  F12  1  0.837  0.062  0.276  1.0
  F  F13  1  0.678  0.081  0.795  1.0
  F  F14  1  0.308  0.570  0.793  1.0
  F  F15  1  0.359  0.918  0.196  1.0
  F  F16  1  0.075  0.590  0.366  1.0
  F  F17  1  0.146  0.240  0.042  1.0
  F  F18  1  0.192  0.910  0.685  1.0
[/CIF]
.
The crystal structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(6) atom to form distorted CaO3F3 octahedra that share corners with two equivalent Mn(1)O2F3 square pyramids,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid, edges with two equivalent Mn(4)O2F4 octahedra, edges with two equivalent Mn(5)O2F4 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 to one O(2), one O(4), one F(3), one F(5), and one F(8) atom to form distorted MnO2F3 square pyramids that share  a cornercorner with one Mn(5)O2F4 octahedra, corners with two equivalent Ca(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(6)OF5 octahedra, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-60°. 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(3), one F(4), and one F(7) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Ca(1)O3F3 octahedra,  a cornercorner with one Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with three equivalent Mn(5)O2F4 octahedra,  an edgeedge with one Ca(1)O3F3 octahedra, and  an edgeedge with one Mn(1)O2F3 square pyramid. The corner-sharing octahedral tilt angles range from 38-64°. 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(1)O2F3 square pyramids,  a cornercorner with one Mn(3)O2F3 trigonal bipyramid,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Ca(1)O3F3 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  a cornercorner with one Mn(1)O2F3 square pyramid, 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)O3F3 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 corners with three equivalent Mn(1)O2F3 square pyramids, corners with two equivalent Mn(3)O2F3 trigonal bipyramids,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)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 to one Ca(1), one Mn(1), one Mn(2), and one Mn(4) atom to form distorted OCaMn3 tetrahedra that share  a cornercorner with one F(6)CaMn3 trigonal pyramid, corners with two equivalent O(4)CaMn3 trigonal pyramids,  an edgeedge with one O(3)CaMn3 trigonal pyramid, and  an edgeedge with one F(6)CaMn3 trigonal pyramid. 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 OCaMn3 trigonal pyramids that share  a cornercorner with one F(6)CaMn3 trigonal pyramid, corners with three equivalent O(4)CaMn3 trigonal pyramids,  an edgeedge with one O(2)CaMn3 tetrahedra, and  an edgeedge with one F(6)CaMn3 trigonal pyramid. 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 distorted OCaMn3 trigonal pyramids that share corners with two equivalent O(2)CaMn3 tetrahedra, corners with three equivalent O(3)CaMn3 trigonal pyramids, and  an edgeedge with one F(6)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 Ca(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Mn(5) and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted 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 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(6) 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 trigonal pyramids that share  a cornercorner with one O(2)CaMn3 tetrahedra,  a cornercorner with one O(3)CaMn3 trigonal pyramid,  an edgeedge with one O(2)CaMn3 tetrahedra,  an edgeedge with one O(3)CaMn3 trigonal pyramid, and  an edgeedge with one O(4)CaMn3 trigonal pyramid. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped 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   5.540
_cell_length_b   7.824
_cell_length_c   6.171
_cell_angle_alpha   96.723
_cell_angle_beta   99.166
_cell_angle_gamma   83.069
_symmetry_Int_Tables_number   1
_cell_volume   260.833
_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  0.469  0.492  0.467  1.0
  Mn  Mn1  1  0.475  0.995  0.513  1.0
  Mn  Mn2  1  0.696  0.685  0.148  1.0
  Mn  Mn3  1  0.432  0.310  0.892  1.0
  Mn  Mn4  1  0.969  0.684  0.663  1.0
  Mn  Mn5  1  0.972  0.300  0.344  1.0
  Mn  Mn6  1  0.024  0.990  0.990  1.0
  O  O7  1  0.882  0.759  0.937  1.0
  O  O8  1  0.659  0.761  0.485  1.0
  O  O9  1  0.642  0.431  0.159  1.0
  O  O10  1  0.325  0.233  0.534  1.0
  F  F11  1  0.846  0.424  0.642  1.0
  F  F12  1  0.837  0.062  0.276  1.0
  F  F13  1  0.678  0.081  0.795  1.0
  F  F14  1  0.308  0.570  0.793  1.0
  F  F15  1  0.359  0.918  0.196  1.0
  F  F16  1  0.075  0.590  0.366  1.0
  F  F17  1  0.146  0.240  0.042  1.0
  F  F18  1  0.192  0.910  0.685  1.0
[/CIF]
.