The material structure described by CaMn5O7 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Ca(1), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms to form distorted OCaMn5 square pyramids that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(4)CaMn5 square pyramids, edges with five equivalent O(2)Mn6 octahedra, edges with two equivalent O(4)CaMn5 square pyramids, and edges with two equivalent O(1)Ca2Mn2 tetrahedra. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Mn(3) atoms to form OCa2Mn2 tetrahedra that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(1)Ca2Mn2 tetrahedra, and edges with four equivalent O(4)CaMn5 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(2) is bonded to one Mn(3), two equivalent Mn(1), and three equivalent Mn(2) atoms to form OMn6 octahedra that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(4)CaMn5 square pyramids,  a cornercorner with one O(1)Ca2Mn2 tetrahedra, edges with five equivalent O(2)Mn6 octahedra, and edges with five equivalent O(4)CaMn5 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_CaMn5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.161
_cell_length_b   5.437
_cell_length_c   18.278
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   73.104
_symmetry_Int_Tables_number   1
_cell_volume   300.609
_cell_formula_units_Z   2
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  0.202  0.596  0.750  1.0
  Ca  Ca1  1  0.798  0.404  0.250  1.0
  Mn  Mn2  1  0.000  1.000  0.500  1.0
  Mn  Mn3  1  0.277  0.447  0.074  1.0
  Mn  Mn4  1  0.723  0.553  0.926  1.0
  Mn  Mn5  1  0.541  0.919  0.153  1.0
  Mn  Mn6  1  0.459  0.081  0.847  1.0
  Mn  Mn7  1  0.000  1.000  1.000  1.0
  Mn  Mn8  1  0.724  0.553  0.574  1.0
  Mn  Mn9  1  0.276  0.447  0.426  1.0
  Mn  Mn10  1  0.459  0.081  0.653  1.0
  Mn  Mn11  1  0.541  0.919  0.347  1.0
  O  O12  1  0.547  0.905  0.750  1.0
  O  O13  1  0.453  0.095  0.250  1.0
  O  O14  1  0.352  0.296  0.971  1.0
  O  O15  1  0.648  0.704  0.029  1.0
  O  O16  1  0.648  0.704  0.471  1.0
  O  O17  1  0.352  0.296  0.529  1.0
  O  O18  1  0.816  0.367  0.836  1.0
  O  O19  1  0.184  0.633  0.164  1.0
  O  O20  1  0.184  0.633  0.336  1.0
  O  O21  1  0.816  0.367  0.664  1.0
  O  O22  1  0.093  0.814  0.895  1.0
  O  O23  1  0.907  0.186  0.105  1.0
  O  O24  1  0.907  0.185  0.395  1.0
  O  O25  1  0.093  0.815  0.605  1.0
[/CIF]
.
The material structure described by CaMn5O7 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Ca(1), one Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms to form distorted OCaMn5 square pyramids that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(4)CaMn5 square pyramids, edges with five equivalent O(2)Mn6 octahedra, edges with two equivalent O(4)CaMn5 square pyramids, and edges with two equivalent O(1)Ca2Mn2 tetrahedra. The corner-sharing octahedral tilt angles are 7°. In the second O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Mn(3) atoms to form OCa2Mn2 tetrahedra that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(1)Ca2Mn2 tetrahedra, and edges with four equivalent O(4)CaMn5 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(2) is bonded to one Mn(3), two equivalent Mn(1), and three equivalent Mn(2) atoms to form OMn6 octahedra that share corners with two equivalent O(2)Mn6 octahedra, corners with two equivalent O(4)CaMn5 square pyramids,  a cornercorner with one O(1)Ca2Mn2 tetrahedra, edges with five equivalent O(2)Mn6 octahedra, and edges with five equivalent O(4)CaMn5 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_CaMn5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.161
_cell_length_b   5.437
_cell_length_c   18.278
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   73.104
_symmetry_Int_Tables_number   1
_cell_volume   300.609
_cell_formula_units_Z   2
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  0.202  0.596  0.750  1.0
  Ca  Ca1  1  0.798  0.404  0.250  1.0
  Mn  Mn2  1  0.000  1.000  0.500  1.0
  Mn  Mn3  1  0.277  0.447  0.074  1.0
  Mn  Mn4  1  0.723  0.553  0.926  1.0
  Mn  Mn5  1  0.541  0.919  0.153  1.0
  Mn  Mn6  1  0.459  0.081  0.847  1.0
  Mn  Mn7  1  0.000  1.000  1.000  1.0
  Mn  Mn8  1  0.724  0.553  0.574  1.0
  Mn  Mn9  1  0.276  0.447  0.426  1.0
  Mn  Mn10  1  0.459  0.081  0.653  1.0
  Mn  Mn11  1  0.541  0.919  0.347  1.0
  O  O12  1  0.547  0.905  0.750  1.0
  O  O13  1  0.453  0.095  0.250  1.0
  O  O14  1  0.352  0.296  0.971  1.0
  O  O15  1  0.648  0.704  0.029  1.0
  O  O16  1  0.648  0.704  0.471  1.0
  O  O17  1  0.352  0.296  0.529  1.0
  O  O18  1  0.816  0.367  0.836  1.0
  O  O19  1  0.184  0.633  0.164  1.0
  O  O20  1  0.184  0.633  0.336  1.0
  O  O21  1  0.816  0.367  0.664  1.0
  O  O22  1  0.093  0.814  0.895  1.0
  O  O23  1  0.907  0.186  0.105  1.0
  O  O24  1  0.907  0.185  0.395  1.0
  O  O25  1  0.093  0.815  0.605  1.0
[/CIF]
.