The material structure described by CaMnO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. O(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OCa3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CaMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.309
_cell_length_b   3.312
_cell_length_c   5.669
_cell_angle_alpha   73.036
_cell_angle_beta   89.990
_cell_angle_gamma   60.047
_symmetry_Int_Tables_number   1
_cell_volume   50.685
_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  0.000  0.500  1.0
  Mn  Mn1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.253  0.492  0.762  1.0
  O  O3  1  0.746  0.508  0.238  1.0
[/CIF]
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The material structure described by CaMnO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. O(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OCa3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CaMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.309
_cell_length_b   3.312
_cell_length_c   5.669
_cell_angle_alpha   73.036
_cell_angle_beta   89.990
_cell_angle_gamma   60.047
_symmetry_Int_Tables_number   1
_cell_volume   50.685
_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  0.000  0.500  1.0
  Mn  Mn1  1  0.000  1.000  0.000  1.0
  O  O2  1  0.253  0.492  0.762  1.0
  O  O3  1  0.746  0.508  0.238  1.0
[/CIF]
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