The material described by CaMn8O13F3 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(3), one O(7), one O(8), one F(2), and one F(3) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-60°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-66°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(13), one O(7), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O4F trigonal bipyramid, corners with two equivalent Mn(8)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-57°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(5), one O(6), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(2)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(6), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(8)O4F trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(2)O4F trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles are 60°. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(2)O4F trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-61°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mn(4), one Mn(6), and one Mn(7) atom. In the tenth O site, O(10) is bonded to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded to one Ca(1), one Mn(3), one Mn(7), and one Mn(8) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(3), and one Mn(5) atom. is represented by the CIF file [CIF]
data_CaMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   5.846
_cell_length_c   6.851
_cell_angle_alpha   87.323
_cell_angle_beta   95.009
_cell_angle_gamma   80.316
_symmetry_Int_Tables_number   1
_cell_volume   281.607
_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  0.737  0.712  0.071  1.0
  Mn  Mn1  1  0.352  0.331  0.119  1.0
  Mn  Mn2  1  0.163  0.735  0.375  1.0
  Mn  Mn3  1  0.883  0.173  0.126  1.0
  Mn  Mn4  1  0.372  0.111  0.657  1.0
  Mn  Mn5  1  0.152  0.858  0.879  1.0
  Mn  Mn6  1  0.656  0.935  0.428  1.0
  Mn  Mn7  1  0.532  0.514  0.722  1.0
  Mn  Mn8  1  0.936  0.414  0.656  1.0
  O  O9  1  0.159  0.091  0.086  1.0
  O  O10  1  0.151  0.625  0.089  1.0
  O  O11  1  0.507  0.539  0.164  1.0
  O  O12  1  0.119  0.661  0.648  1.0
  O  O13  1  0.396  0.893  0.459  1.0
  O  O14  1  0.108  0.114  0.676  1.0
  O  O15  1  0.592  0.099  0.172  1.0
  O  O16  1  0.420  0.816  0.851  1.0
  O  O17  1  0.606  0.209  0.606  1.0
  O  O18  1  0.904  0.906  0.317  1.0
  O  O19  1  0.365  0.343  0.848  1.0
  O  O20  1  0.720  0.662  0.609  1.0
  O  O21  1  0.820  0.393  0.907  1.0
  F  F22  1  0.283  0.369  0.395  1.0
  F  F23  1  0.900  0.413  0.344  1.0
  F  F24  1  0.881  0.930  0.886  1.0
[/CIF]
.
The material described by CaMn8O13F3 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(3), one O(7), one O(8), one F(2), and one F(3) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-60°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-66°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(13), one O(7), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Mn(2)O4F trigonal bipyramid, corners with two equivalent Mn(8)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-57°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(5), one O(6), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(2)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(6), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(2)O4F trigonal bipyramids, corners with two equivalent Mn(8)O4F trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(8)O4F trigonal bipyramid, corners with two equivalent Mn(2)O4F trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles are 60°. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(4)O5F octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(2)O4F trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-61°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mn(4), one Mn(6), and one Mn(7) atom. In the tenth O site, O(10) is bonded to one Ca(1), one Mn(2), one Mn(3), and one Mn(6) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded to one Ca(1), one Mn(3), one Mn(7), and one Mn(8) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Ca(1), one Mn(3), and one Mn(5) atom. is represented by the CIF file [CIF]
data_CaMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.173
_cell_length_b   5.846
_cell_length_c   6.851
_cell_angle_alpha   87.323
_cell_angle_beta   95.009
_cell_angle_gamma   80.316
_symmetry_Int_Tables_number   1
_cell_volume   281.607
_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  0.737  0.712  0.071  1.0
  Mn  Mn1  1  0.352  0.331  0.119  1.0
  Mn  Mn2  1  0.163  0.735  0.375  1.0
  Mn  Mn3  1  0.883  0.173  0.126  1.0
  Mn  Mn4  1  0.372  0.111  0.657  1.0
  Mn  Mn5  1  0.152  0.858  0.879  1.0
  Mn  Mn6  1  0.656  0.935  0.428  1.0
  Mn  Mn7  1  0.532  0.514  0.722  1.0
  Mn  Mn8  1  0.936  0.414  0.656  1.0
  O  O9  1  0.159  0.091  0.086  1.0
  O  O10  1  0.151  0.625  0.089  1.0
  O  O11  1  0.507  0.539  0.164  1.0
  O  O12  1  0.119  0.661  0.648  1.0
  O  O13  1  0.396  0.893  0.459  1.0
  O  O14  1  0.108  0.114  0.676  1.0
  O  O15  1  0.592  0.099  0.172  1.0
  O  O16  1  0.420  0.816  0.851  1.0
  O  O17  1  0.606  0.209  0.606  1.0
  O  O18  1  0.904  0.906  0.317  1.0
  O  O19  1  0.365  0.343  0.848  1.0
  O  O20  1  0.720  0.662  0.609  1.0
  O  O21  1  0.820  0.393  0.907  1.0
  F  F22  1  0.283  0.369  0.395  1.0
  F  F23  1  0.900  0.413  0.344  1.0
  F  F24  1  0.881  0.930  0.886  1.0
[/CIF]
.