The material structure described by Ca2Mn2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form edge-sharing OCa4Mn2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Ca2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   5.480
_cell_length_c   10.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.014
_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  0.500  0.695  0.871  1.0
  Ca  Ca1  1  0.500  0.305  0.129  1.0
  Ca  Ca2  1  0.500  0.195  0.629  1.0
  Ca  Ca3  1  0.500  0.805  0.371  1.0
  Mn  Mn4  1  0.000  0.721  0.621  1.0
  Mn  Mn5  1  0.000  0.279  0.379  1.0
  Mn  Mn6  1  0.000  0.779  0.121  1.0
  Mn  Mn7  1  0.000  0.221  0.879  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.582  0.290  1.0
  O  O10  1  0.000  0.082  0.210  1.0
  O  O11  1  0.000  0.918  0.790  1.0
  O  O12  1  0.500  0.790  0.100  1.0
  O  O13  1  0.500  0.210  0.900  1.0
  O  O14  1  0.000  0.418  0.710  1.0
  O  O15  1  0.500  0.710  0.600  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.290  0.400  1.0
[/CIF]
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The material structure described by Ca2Mn2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form edge-sharing OCa4Mn2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Ca2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   5.480
_cell_length_c   10.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.014
_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  0.500  0.695  0.871  1.0
  Ca  Ca1  1  0.500  0.305  0.129  1.0
  Ca  Ca2  1  0.500  0.195  0.629  1.0
  Ca  Ca3  1  0.500  0.805  0.371  1.0
  Mn  Mn4  1  0.000  0.721  0.621  1.0
  Mn  Mn5  1  0.000  0.279  0.379  1.0
  Mn  Mn6  1  0.000  0.779  0.121  1.0
  Mn  Mn7  1  0.000  0.221  0.879  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.582  0.290  1.0
  O  O10  1  0.000  0.082  0.210  1.0
  O  O11  1  0.000  0.918  0.790  1.0
  O  O12  1  0.500  0.790  0.100  1.0
  O  O13  1  0.500  0.210  0.900  1.0
  O  O14  1  0.000  0.418  0.710  1.0
  O  O15  1  0.500  0.710  0.600  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.290  0.400  1.0
[/CIF]
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