The material described by Ca2Mn2O5 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(9) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(10) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-32°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra, and  a cornercorner with one Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra, and  a cornercorner with one Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(4), one Mn(1), and one Mn(2) atom to form corner-sharing OCa2Mn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(2), one Ca(3), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OCa2Mn2 tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(1), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(4), one Mn(1), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.639
_cell_length_c   8.492
_cell_angle_alpha   110.533
_cell_angle_beta   70.125
_cell_angle_gamma   92.861
_symmetry_Int_Tables_number   1
_cell_volume   230.552
_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  0.401  0.127  0.213  1.0
  Ca  Ca1  1  0.604  0.870  0.782  1.0
  Ca  Ca2  1  0.889  0.584  0.217  1.0
  Ca  Ca3  1  0.117  0.418  0.787  1.0
  Mn  Mn4  1  0.709  0.194  0.501  1.0
  Mn  Mn5  1  0.217  0.819  0.499  1.0
  Mn  Mn6  1  0.512  0.496  0.004  1.0
  Mn  Mn7  1  0.014  0.995  0.998  1.0
  O  O8  1  0.352  0.169  0.499  1.0
  O  O9  1  0.843  0.874  0.500  1.0
  O  O10  1  0.278  0.237  0.972  1.0
  O  O11  1  0.255  0.742  0.039  1.0
  O  O12  1  0.767  0.240  0.962  1.0
  O  O13  1  0.746  0.759  0.028  1.0
  O  O14  1  0.889  0.190  0.265  1.0
  O  O15  1  0.174  0.801  0.740  1.0
  O  O16  1  0.415  0.556  0.256  1.0
  O  O17  1  0.645  0.429  0.738  1.0
[/CIF]
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The material described by Ca2Mn2O5 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(9), and two equivalent O(7) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and two equivalent O(9) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(10) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-32°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with four equivalent Mn(4)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra, and  a cornercorner with one Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra, and  a cornercorner with one Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(4), one Mn(1), and one Mn(2) atom to form corner-sharing OCa2Mn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(2), one Ca(3), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OCa2Mn2 tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(1), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(4), one Mn(1), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.639
_cell_length_c   8.492
_cell_angle_alpha   110.533
_cell_angle_beta   70.125
_cell_angle_gamma   92.861
_symmetry_Int_Tables_number   1
_cell_volume   230.552
_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  0.401  0.127  0.213  1.0
  Ca  Ca1  1  0.604  0.870  0.782  1.0
  Ca  Ca2  1  0.889  0.584  0.217  1.0
  Ca  Ca3  1  0.117  0.418  0.787  1.0
  Mn  Mn4  1  0.709  0.194  0.501  1.0
  Mn  Mn5  1  0.217  0.819  0.499  1.0
  Mn  Mn6  1  0.512  0.496  0.004  1.0
  Mn  Mn7  1  0.014  0.995  0.998  1.0
  O  O8  1  0.352  0.169  0.499  1.0
  O  O9  1  0.843  0.874  0.500  1.0
  O  O10  1  0.278  0.237  0.972  1.0
  O  O11  1  0.255  0.742  0.039  1.0
  O  O12  1  0.767  0.240  0.962  1.0
  O  O13  1  0.746  0.759  0.028  1.0
  O  O14  1  0.889  0.190  0.265  1.0
  O  O15  1  0.174  0.801  0.740  1.0
  O  O16  1  0.415  0.556  0.256  1.0
  O  O17  1  0.645  0.429  0.738  1.0
[/CIF]
.