The crystal structure described by CaMn3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), and four equivalent Mn(1) atoms to form OCaMn5 octahedra that share corners with six equivalent O(1)CaMn5 octahedra, edges with four equivalent O(1)CaMn5 octahedra, and edges with eight equivalent O(2)Ca2Mn4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCa2Mn4 octahedra that share corners with six equivalent O(2)Ca2Mn4 octahedra, edges with four equivalent O(2)Ca2Mn4 octahedra, and edges with eight equivalent O(1)CaMn5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CaMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   3.257
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.538
_symmetry_Int_Tables_number   1
_cell_volume   96.762
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.245  0.755  0.000  1.0
  O  O5  1  0.759  0.759  0.500  1.0
  O  O6  1  0.241  0.241  0.500  1.0
  O  O7  1  0.755  0.245  0.000  1.0
[/CIF]
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The crystal structure described by CaMn3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), and four equivalent Mn(1) atoms to form OCaMn5 octahedra that share corners with six equivalent O(1)CaMn5 octahedra, edges with four equivalent O(1)CaMn5 octahedra, and edges with eight equivalent O(2)Ca2Mn4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCa2Mn4 octahedra that share corners with six equivalent O(2)Ca2Mn4 octahedra, edges with four equivalent O(2)Ca2Mn4 octahedra, and edges with eight equivalent O(1)CaMn5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CaMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   3.257
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.538
_symmetry_Int_Tables_number   1
_cell_volume   96.762
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.245  0.755  0.000  1.0
  O  O5  1  0.759  0.759  0.500  1.0
  O  O6  1  0.241  0.241  0.500  1.0
  O  O7  1  0.755  0.245  0.000  1.0
[/CIF]
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