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(12), one O(4), one O(6), one O(9), 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(4)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(4)O4F trigonal bipyramid,  a cornercorner with one Mn(5)O4F trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(7), one F(2), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(6), one O(8), one O(9), and one F(1) atom to form MnO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-71°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(8), and one F(3) atom to form MnO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(8)O5F octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-64°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(8)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, and corners with two equivalent Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-65°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(12), one O(13), one O(3), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share  a cornercorner with one Mn(5)O4F trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(4)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(2), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Mn(4), one Mn(5), and one Mn(8) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(4), and one Mn(8) 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 a mixture of corner and edge-sharing OCaMn3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Mn(6), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(3), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.626
_cell_length_b   5.993
_cell_length_c   7.519
_cell_angle_alpha   78.432
_cell_angle_beta   92.117
_cell_angle_gamma   88.079
_symmetry_Int_Tables_number   1
_cell_volume   292.060
_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  0.909  0.949  0.563  1.0
  Mn  Mn1  1  0.364  0.340  0.121  1.0
  Mn  Mn2  1  0.121  0.617  0.351  1.0
  Mn  Mn3  1  0.860  0.159  0.119  1.0
  Mn  Mn4  1  0.399  0.209  0.685  1.0
  Mn  Mn5  1  0.159  0.887  0.933  1.0
  Mn  Mn6  1  0.590  0.782  0.304  1.0
  Mn  Mn7  1  0.613  0.640  0.870  1.0
  Mn  Mn8  1  0.876  0.400  0.664  1.0
  O  O9  1  0.149  0.130  0.096  1.0
  O  O10  1  0.169  0.600  0.104  1.0
  O  O11  1  0.575  0.565  0.130  1.0
  O  O12  1  0.081  0.602  0.606  1.0
  O  O13  1  0.333  0.801  0.378  1.0
  O  O14  1  0.110  0.146  0.723  1.0
  O  O15  1  0.578  0.105  0.167  1.0
  O  O16  1  0.422  0.891  0.834  1.0
  O  O17  1  0.670  0.199  0.635  1.0
  O  O18  1  0.879  0.854  0.284  1.0
  O  O19  1  0.413  0.418  0.866  1.0
  O  O20  1  0.680  0.656  0.610  1.0
  O  O21  1  0.831  0.409  0.906  1.0
  F  F22  1  0.331  0.312  0.400  1.0
  F  F23  1  0.921  0.353  0.384  1.0
  F  F24  1  0.850  0.856  0.896  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(12), one O(4), one O(6), one O(9), 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(4)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(4)O4F trigonal bipyramid,  a cornercorner with one Mn(5)O4F trigonal bipyramid, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(7), one F(2), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(6), one O(8), one O(9), and one F(1) atom to form MnO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra, and  an edgeedge with one Mn(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-71°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(8), and one F(3) atom to form MnO4F trigonal bipyramids that share  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one Mn(8)O5F octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-64°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(8)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, and corners with two equivalent Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-65°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(12), one O(13), one O(3), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O4F trigonal bipyramids, corners with two equivalent Mn(5)O4F trigonal bipyramids, corners with two equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share  a cornercorner with one Mn(5)O4F trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid, corners with two equivalent Mn(4)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Mn(2), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Mn(4), one Mn(5), and one Mn(8) atom to form distorted corner-sharing OCaMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(4), and one Mn(8) 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 a mixture of corner and edge-sharing OCaMn3 trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded to one Ca(1), one Mn(6), one Mn(7), and one Mn(8) atom to form a mixture of distorted corner and edge-sharing OCaMn3 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Mn(2), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(3), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.626
_cell_length_b   5.993
_cell_length_c   7.519
_cell_angle_alpha   78.432
_cell_angle_beta   92.117
_cell_angle_gamma   88.079
_symmetry_Int_Tables_number   1
_cell_volume   292.060
_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  0.909  0.949  0.563  1.0
  Mn  Mn1  1  0.364  0.340  0.121  1.0
  Mn  Mn2  1  0.121  0.617  0.351  1.0
  Mn  Mn3  1  0.860  0.159  0.119  1.0
  Mn  Mn4  1  0.399  0.209  0.685  1.0
  Mn  Mn5  1  0.159  0.887  0.933  1.0
  Mn  Mn6  1  0.590  0.782  0.304  1.0
  Mn  Mn7  1  0.613  0.640  0.870  1.0
  Mn  Mn8  1  0.876  0.400  0.664  1.0
  O  O9  1  0.149  0.130  0.096  1.0
  O  O10  1  0.169  0.600  0.104  1.0
  O  O11  1  0.575  0.565  0.130  1.0
  O  O12  1  0.081  0.602  0.606  1.0
  O  O13  1  0.333  0.801  0.378  1.0
  O  O14  1  0.110  0.146  0.723  1.0
  O  O15  1  0.578  0.105  0.167  1.0
  O  O16  1  0.422  0.891  0.834  1.0
  O  O17  1  0.670  0.199  0.635  1.0
  O  O18  1  0.879  0.854  0.284  1.0
  O  O19  1  0.413  0.418  0.866  1.0
  O  O20  1  0.680  0.656  0.610  1.0
  O  O21  1  0.831  0.409  0.906  1.0
  F  F22  1  0.331  0.312  0.400  1.0
  F  F23  1  0.921  0.353  0.384  1.0
  F  F24  1  0.850  0.856  0.896  1.0
[/CIF]
.