The crystal structure described by CsMnO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form distorted CsO12 cuboctahedra that share corners with two equivalent Mn(1)O4 tetrahedra, edges with six equivalent Cs(1)O12 cuboctahedra, edges with five equivalent Mn(1)O4 tetrahedra, and faces with four equivalent Cs(1)O12 cuboctahedra. Mn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MnO4 tetrahedra that share corners with two equivalent Cs(1)O12 cuboctahedra and edges with five equivalent Cs(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   7.953
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.345
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.250  0.847  0.811  1.0
  Cs  Cs1  1  0.750  0.153  0.189  1.0
  Cs  Cs2  1  0.750  0.347  0.689  1.0
  Cs  Cs3  1  0.250  0.653  0.311  1.0
  Mn  Mn4  1  0.250  0.294  0.949  1.0
  Mn  Mn5  1  0.750  0.706  0.051  1.0
  Mn  Mn6  1  0.750  0.794  0.551  1.0
  Mn  Mn7  1  0.250  0.206  0.449  1.0
  O  O8  1  0.524  0.818  0.079  1.0
  O  O9  1  0.024  0.182  0.921  1.0
  O  O10  1  0.476  0.318  0.421  1.0
  O  O11  1  0.976  0.682  0.579  1.0
  O  O12  1  0.476  0.182  0.921  1.0
  O  O13  1  0.976  0.818  0.079  1.0
  O  O14  1  0.524  0.682  0.579  1.0
  O  O15  1  0.024  0.318  0.421  1.0
  O  O16  1  0.250  0.046  0.351  1.0
  O  O17  1  0.750  0.954  0.649  1.0
  O  O18  1  0.750  0.546  0.149  1.0
  O  O19  1  0.250  0.454  0.851  1.0
  O  O20  1  0.250  0.148  0.603  1.0
  O  O21  1  0.750  0.852  0.397  1.0
  O  O22  1  0.750  0.648  0.897  1.0
  O  O23  1  0.250  0.352  0.103  1.0
[/CIF]
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The crystal structure described by CsMnO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form distorted CsO12 cuboctahedra that share corners with two equivalent Mn(1)O4 tetrahedra, edges with six equivalent Cs(1)O12 cuboctahedra, edges with five equivalent Mn(1)O4 tetrahedra, and faces with four equivalent Cs(1)O12 cuboctahedra. Mn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MnO4 tetrahedra that share corners with two equivalent Cs(1)O12 cuboctahedra and edges with five equivalent Cs(1)O12 cuboctahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   7.953
_cell_length_c   9.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.345
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.250  0.847  0.811  1.0
  Cs  Cs1  1  0.750  0.153  0.189  1.0
  Cs  Cs2  1  0.750  0.347  0.689  1.0
  Cs  Cs3  1  0.250  0.653  0.311  1.0
  Mn  Mn4  1  0.250  0.294  0.949  1.0
  Mn  Mn5  1  0.750  0.706  0.051  1.0
  Mn  Mn6  1  0.750  0.794  0.551  1.0
  Mn  Mn7  1  0.250  0.206  0.449  1.0
  O  O8  1  0.524  0.818  0.079  1.0
  O  O9  1  0.024  0.182  0.921  1.0
  O  O10  1  0.476  0.318  0.421  1.0
  O  O11  1  0.976  0.682  0.579  1.0
  O  O12  1  0.476  0.182  0.921  1.0
  O  O13  1  0.976  0.818  0.079  1.0
  O  O14  1  0.524  0.682  0.579  1.0
  O  O15  1  0.024  0.318  0.421  1.0
  O  O16  1  0.250  0.046  0.351  1.0
  O  O17  1  0.750  0.954  0.649  1.0
  O  O18  1  0.750  0.546  0.149  1.0
  O  O19  1  0.250  0.454  0.851  1.0
  O  O20  1  0.250  0.148  0.603  1.0
  O  O21  1  0.750  0.852  0.397  1.0
  O  O22  1  0.750  0.648  0.897  1.0
  O  O23  1  0.250  0.352  0.103  1.0
[/CIF]
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