The structure described by Ca5Mn4O9 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Ca site, Ca(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Ca site, Ca(3) is bonded to one O(3), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ca site, Ca(4) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Ca site, Ca(5) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Mn site, Mn(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCaMn5 octahedra that share  a cornercorner with one O(9)Ca3Mn3 octahedra,  a cornercorner with one O(5)Ca6 octahedra, corners with two equivalent O(8)Ca3Mn3 octahedra, corners with two equivalent O(7)Ca4Mn2 octahedra,  an edgeedge with one O(8)Ca3Mn3 octahedra,  an edgeedge with one O(7)Ca4Mn2 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), one Mn(2), and two equivalent Mn(3) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(6)Ca3Mn3 octahedra,  a cornercorner with one O(7)Ca4Mn2 octahedra, corners with two equivalent O(9)Ca3Mn3 octahedra, corners with two equivalent O(3)Ca5Mn octahedra,  an edgeedge with one O(9)Ca3Mn3 octahedra,  an edgeedge with one O(3)Ca5Mn octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(5)Ca6 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(5), and one Mn(1) atom to form OCa5Mn octahedra that share  a cornercorner with one O(4)Ca2Mn4 octahedra,  a cornercorner with one O(8)Ca3Mn3 octahedra, corners with two equivalent O(2)Ca3Mn3 octahedra, corners with two equivalent O(9)Ca3Mn3 octahedra,  an edgeedge with one O(2)Ca3Mn3 octahedra,  an edgeedge with one O(9)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, edges with two equivalent O(5)Ca6 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to two equivalent Ca(2), one Mn(1), one Mn(3), and two equivalent Mn(4) atoms to form OCa2Mn4 octahedra that share  a cornercorner with one O(8)Ca3Mn3 octahedra,  a cornercorner with one O(3)Ca5Mn octahedra, corners with two equivalent O(6)Ca3Mn3 octahedra, corners with two equivalent O(5)Ca6 octahedra,  an edgeedge with one O(6)Ca3Mn3 octahedra,  an edgeedge with one O(5)Ca6 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(4), two equivalent Ca(2), and two equivalent Ca(3) atoms to form OCa6 octahedra that share  a cornercorner with one O(9)Ca3Mn3 octahedra,  a cornercorner with one O(1)CaMn5 octahedra, corners with two equivalent O(4)Ca2Mn4 octahedra, corners with two equivalent O(6)Ca3Mn3 octahedra,  an edgeedge with one O(4)Ca2Mn4 octahedra,  an edgeedge with one O(6)Ca3Mn3 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Ca(5), two equivalent Ca(3), one Mn(2), and two equivalent Mn(4) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(2)Ca3Mn3 octahedra,  a cornercorner with one O(7)Ca4Mn2 octahedra, corners with two equivalent O(4)Ca2Mn4 octahedra, corners with two equivalent O(5)Ca6 octahedra,  an edgeedge with one O(4)Ca2Mn4 octahedra,  an edgeedge with one O(5)Ca6 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(5), two equivalent Ca(4), and two equivalent Mn(1) atoms to form OCa4Mn2 octahedra that share  a cornercorner with one O(2)Ca3Mn3 octahedra,  a cornercorner with one O(6)Ca3Mn3 octahedra, corners with two equivalent O(8)Ca3Mn3 octahedra, corners with two equivalent O(1)CaMn5 octahedra,  an edgeedge with one O(8)Ca3Mn3 octahedra,  an edgeedge with one O(1)CaMn5 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Ca(3), two equivalent Ca(4), one Mn(3), and two equivalent Mn(2) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(4)Ca2Mn4 octahedra,  a cornercorner with one O(3)Ca5Mn octahedra, corners with two equivalent O(7)Ca4Mn2 octahedra, corners with two equivalent O(1)CaMn5 octahedra,  an edgeedge with one O(7)Ca4Mn2 octahedra,  an edgeedge with one O(1)CaMn5 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Ca(4), two equivalent Ca(5), one Mn(4), and two equivalent Mn(3) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(5)Ca6 octahedra,  a cornercorner with one O(1)CaMn5 octahedra, corners with two equivalent O(2)Ca3Mn3 octahedra, corners with two equivalent O(3)Ca5Mn octahedra,  an edgeedge with one O(2)Ca3Mn3 octahedra,  an edgeedge with one O(3)Ca5Mn octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, and edges with two equivalent O(7)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5Mn4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.722
_cell_length_b   8.722
_cell_length_c   9.903
_cell_angle_alpha   55.904
_cell_angle_beta   55.904
_cell_angle_gamma   22.008
_symmetry_Int_Tables_number   1
_cell_volume   231.742
_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  0.330  0.330  0.669  1.0
  Ca  Ca1  1  0.001  0.001  0.325  1.0
  Ca  Ca2  1  0.004  0.004  0.669  1.0
  Ca  Ca3  1  0.671  0.671  0.335  1.0
  Ca  Ca4  1  0.337  0.337  0.003  1.0
  Mn  Mn5  1  0.668  0.668  0.999  1.0
  Mn  Mn6  1  0.667  0.667  0.670  1.0
  Mn  Mn7  1  0.335  0.335  0.334  1.0
  Mn  Mn8  1  0.005  0.005  0.999  1.0
  O  O9  1  0.164  0.164  0.839  1.0
  O  O10  1  0.830  0.830  0.496  1.0
  O  O11  1  0.831  0.831  0.838  1.0
  O  O12  1  0.503  0.503  0.156  1.0
  O  O13  1  0.502  0.502  0.500  1.0
  O  O14  1  0.507  0.507  0.835  1.0
  O  O15  1  0.169  0.169  0.161  1.0
  O  O16  1  0.172  0.172  0.505  1.0
  O  O17  1  0.839  0.839  0.172  1.0
[/CIF]
.
The structure described by Ca5Mn4O9 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Ca site, Ca(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(5)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Ca site, Ca(3) is bonded to one O(3), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ca site, Ca(4) is bonded to one O(5), one O(9), two equivalent O(7), and two equivalent O(8) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Ca site, Ca(5) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Ca(5)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Mn site, Mn(3) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(5)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Ca(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(4), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCaMn5 octahedra that share  a cornercorner with one O(9)Ca3Mn3 octahedra,  a cornercorner with one O(5)Ca6 octahedra, corners with two equivalent O(8)Ca3Mn3 octahedra, corners with two equivalent O(7)Ca4Mn2 octahedra,  an edgeedge with one O(8)Ca3Mn3 octahedra,  an edgeedge with one O(7)Ca4Mn2 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), one Mn(2), and two equivalent Mn(3) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(6)Ca3Mn3 octahedra,  a cornercorner with one O(7)Ca4Mn2 octahedra, corners with two equivalent O(9)Ca3Mn3 octahedra, corners with two equivalent O(3)Ca5Mn octahedra,  an edgeedge with one O(9)Ca3Mn3 octahedra,  an edgeedge with one O(3)Ca5Mn octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(5)Ca6 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(1), two equivalent Ca(5), and one Mn(1) atom to form OCa5Mn octahedra that share  a cornercorner with one O(4)Ca2Mn4 octahedra,  a cornercorner with one O(8)Ca3Mn3 octahedra, corners with two equivalent O(2)Ca3Mn3 octahedra, corners with two equivalent O(9)Ca3Mn3 octahedra,  an edgeedge with one O(2)Ca3Mn3 octahedra,  an edgeedge with one O(9)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, edges with two equivalent O(5)Ca6 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to two equivalent Ca(2), one Mn(1), one Mn(3), and two equivalent Mn(4) atoms to form OCa2Mn4 octahedra that share  a cornercorner with one O(8)Ca3Mn3 octahedra,  a cornercorner with one O(3)Ca5Mn octahedra, corners with two equivalent O(6)Ca3Mn3 octahedra, corners with two equivalent O(5)Ca6 octahedra,  an edgeedge with one O(6)Ca3Mn3 octahedra,  an edgeedge with one O(5)Ca6 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(4), two equivalent Ca(2), and two equivalent Ca(3) atoms to form OCa6 octahedra that share  a cornercorner with one O(9)Ca3Mn3 octahedra,  a cornercorner with one O(1)CaMn5 octahedra, corners with two equivalent O(4)Ca2Mn4 octahedra, corners with two equivalent O(6)Ca3Mn3 octahedra,  an edgeedge with one O(4)Ca2Mn4 octahedra,  an edgeedge with one O(6)Ca3Mn3 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Ca(5), two equivalent Ca(3), one Mn(2), and two equivalent Mn(4) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(2)Ca3Mn3 octahedra,  a cornercorner with one O(7)Ca4Mn2 octahedra, corners with two equivalent O(4)Ca2Mn4 octahedra, corners with two equivalent O(5)Ca6 octahedra,  an edgeedge with one O(4)Ca2Mn4 octahedra,  an edgeedge with one O(5)Ca6 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(1)CaMn5 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the seventh O site, O(7) is bonded to one Ca(2), one Ca(5), two equivalent Ca(4), and two equivalent Mn(1) atoms to form OCa4Mn2 octahedra that share  a cornercorner with one O(2)Ca3Mn3 octahedra,  a cornercorner with one O(6)Ca3Mn3 octahedra, corners with two equivalent O(8)Ca3Mn3 octahedra, corners with two equivalent O(1)CaMn5 octahedra,  an edgeedge with one O(8)Ca3Mn3 octahedra,  an edgeedge with one O(1)CaMn5 octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, edges with two equivalent O(7)Ca4Mn2 octahedra, edges with two equivalent O(3)Ca5Mn octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Ca(3), two equivalent Ca(4), one Mn(3), and two equivalent Mn(2) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(4)Ca2Mn4 octahedra,  a cornercorner with one O(3)Ca5Mn octahedra, corners with two equivalent O(7)Ca4Mn2 octahedra, corners with two equivalent O(1)CaMn5 octahedra,  an edgeedge with one O(7)Ca4Mn2 octahedra,  an edgeedge with one O(1)CaMn5 octahedra, edges with two equivalent O(2)Ca3Mn3 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, and edges with two equivalent O(5)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth O site, O(9) is bonded to one Ca(4), two equivalent Ca(5), one Mn(4), and two equivalent Mn(3) atoms to form OCa3Mn3 octahedra that share  a cornercorner with one O(5)Ca6 octahedra,  a cornercorner with one O(1)CaMn5 octahedra, corners with two equivalent O(2)Ca3Mn3 octahedra, corners with two equivalent O(3)Ca5Mn octahedra,  an edgeedge with one O(2)Ca3Mn3 octahedra,  an edgeedge with one O(3)Ca5Mn octahedra, edges with two equivalent O(4)Ca2Mn4 octahedra, edges with two equivalent O(6)Ca3Mn3 octahedra, edges with two equivalent O(8)Ca3Mn3 octahedra, edges with two equivalent O(9)Ca3Mn3 octahedra, and edges with two equivalent O(7)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5Mn4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.722
_cell_length_b   8.722
_cell_length_c   9.903
_cell_angle_alpha   55.904
_cell_angle_beta   55.904
_cell_angle_gamma   22.008
_symmetry_Int_Tables_number   1
_cell_volume   231.742
_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  0.330  0.330  0.669  1.0
  Ca  Ca1  1  0.001  0.001  0.325  1.0
  Ca  Ca2  1  0.004  0.004  0.669  1.0
  Ca  Ca3  1  0.671  0.671  0.335  1.0
  Ca  Ca4  1  0.337  0.337  0.003  1.0
  Mn  Mn5  1  0.668  0.668  0.999  1.0
  Mn  Mn6  1  0.667  0.667  0.670  1.0
  Mn  Mn7  1  0.335  0.335  0.334  1.0
  Mn  Mn8  1  0.005  0.005  0.999  1.0
  O  O9  1  0.164  0.164  0.839  1.0
  O  O10  1  0.830  0.830  0.496  1.0
  O  O11  1  0.831  0.831  0.838  1.0
  O  O12  1  0.503  0.503  0.156  1.0
  O  O13  1  0.502  0.502  0.500  1.0
  O  O14  1  0.507  0.507  0.835  1.0
  O  O15  1  0.169  0.169  0.161  1.0
  O  O16  1  0.172  0.172  0.505  1.0
  O  O17  1  0.839  0.839  0.172  1.0
[/CIF]
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