The crystal structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), 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), and one F(5) atom to form distorted MnO2F3 square pyramids that share corners with three equivalent Mn(6)OF5 octahedra,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(5)OF4 trigonal bipyramids, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-65°. 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(1), 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 MnO2F3 trigonal bipyramids that share corners with two equivalent Mn(6)OF5 octahedra, corners with two equivalent Mn(4)O3F2 trigonal bipyramids, corners with two equivalent Mn(5)OF4 trigonal bipyramids, and  an edgeedge with one Mn(1)O2F3 square pyramid. The corner-sharing octahedral tilt angles range from 31-48°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(4) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(6)OF5 octahedra,  a cornercorner with one Mn(1)O2F3 square pyramid,  a cornercorner with one Mn(5)OF4 trigonal bipyramid, and corners with two equivalent Mn(3)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 74°. In the fifth Mn site, Mn(5) is bonded to one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O2F3 square pyramids,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(6)OF5 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,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(5)OF4 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal pyramidal 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 in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. 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 distorted trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(5) 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 3-coordinate geometry to one Ca(1), one Mn(3), and one Mn(4) 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(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(2), and one Mn(5) atom. 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 bent 120 degrees geometry to one Ca(1) 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   5.512
_cell_length_b   7.949
_cell_length_c   6.018
_cell_angle_alpha   90.033
_cell_angle_beta   95.938
_cell_angle_gamma   85.991
_symmetry_Int_Tables_number   1
_cell_volume   261.594
_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  0.097  0.776  0.447  1.0
  Mn  Mn1  1  0.554  0.033  0.494  1.0
  Mn  Mn2  1  0.613  0.645  0.237  1.0
  Mn  Mn3  1  0.426  0.342  0.815  1.0
  Mn  Mn4  1  0.811  0.624  0.796  1.0
  Mn  Mn5  1  0.060  0.329  0.320  1.0
  Mn  Mn6  1  0.987  0.999  0.003  1.0
  O  O7  1  0.843  0.768  0.090  1.0
  O  O8  1  0.682  0.778  0.519  1.0
  O  O9  1  0.647  0.475  0.004  1.0
  O  O10  1  0.332  0.240  0.540  1.0
  F  F11  1  0.794  0.458  0.484  1.0
  F  F12  1  0.858  0.099  0.314  1.0
  F  F13  1  0.683  0.135  0.830  1.0
  F  F14  1  0.190  0.557  0.744  1.0
  F  F15  1  0.313  0.925  0.229  1.0
  F  F16  1  0.288  0.558  0.286  1.0
  F  F17  1  0.172  0.246  0.014  1.0
  F  F18  1  0.176  0.927  0.742  1.0
[/CIF]
.
The crystal structure described by CaMn6(OF2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), 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), and one F(5) atom to form distorted MnO2F3 square pyramids that share corners with three equivalent Mn(6)OF5 octahedra,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(5)OF4 trigonal bipyramids, and  an edgeedge with one Mn(3)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-65°. 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(1), 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 MnO2F3 trigonal bipyramids that share corners with two equivalent Mn(6)OF5 octahedra, corners with two equivalent Mn(4)O3F2 trigonal bipyramids, corners with two equivalent Mn(5)OF4 trigonal bipyramids, and  an edgeedge with one Mn(1)O2F3 square pyramid. The corner-sharing octahedral tilt angles range from 31-48°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(1), and one F(4) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(6)OF5 octahedra,  a cornercorner with one Mn(1)O2F3 square pyramid,  a cornercorner with one Mn(5)OF4 trigonal bipyramid, and corners with two equivalent Mn(3)O2F3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 74°. In the fifth Mn site, Mn(5) is bonded to one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnOF4 trigonal bipyramids that share corners with two equivalent Mn(1)O2F3 square pyramids,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(6)OF5 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,  a cornercorner with one Mn(4)O3F2 trigonal bipyramid, corners with two equivalent Mn(3)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(5)OF4 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal pyramidal 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 in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. 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 distorted trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(5) 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 3-coordinate geometry to one Ca(1), one Mn(3), and one Mn(4) 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(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(2), and one Mn(5) atom. 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 bent 120 degrees geometry to one Ca(1) 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   5.512
_cell_length_b   7.949
_cell_length_c   6.018
_cell_angle_alpha   90.033
_cell_angle_beta   95.938
_cell_angle_gamma   85.991
_symmetry_Int_Tables_number   1
_cell_volume   261.594
_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  0.097  0.776  0.447  1.0
  Mn  Mn1  1  0.554  0.033  0.494  1.0
  Mn  Mn2  1  0.613  0.645  0.237  1.0
  Mn  Mn3  1  0.426  0.342  0.815  1.0
  Mn  Mn4  1  0.811  0.624  0.796  1.0
  Mn  Mn5  1  0.060  0.329  0.320  1.0
  Mn  Mn6  1  0.987  0.999  0.003  1.0
  O  O7  1  0.843  0.768  0.090  1.0
  O  O8  1  0.682  0.778  0.519  1.0
  O  O9  1  0.647  0.475  0.004  1.0
  O  O10  1  0.332  0.240  0.540  1.0
  F  F11  1  0.794  0.458  0.484  1.0
  F  F12  1  0.858  0.099  0.314  1.0
  F  F13  1  0.683  0.135  0.830  1.0
  F  F14  1  0.190  0.557  0.744  1.0
  F  F15  1  0.313  0.925  0.229  1.0
  F  F16  1  0.288  0.558  0.286  1.0
  F  F17  1  0.172  0.246  0.014  1.0
  F  F18  1  0.176  0.927  0.742  1.0
[/CIF]
.