The material structure described by CaMn3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Mn(2) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CaMn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   10.435
_cell_length_c   10.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.794
_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
  Ca  Ca0  1  0.319  0.056  0.250  1.0
  Ca  Ca1  1  0.819  0.444  0.750  1.0
  Ca  Ca2  1  0.681  0.944  0.750  1.0
  Ca  Ca3  1  0.181  0.556  0.250  1.0
  Mn  Mn4  1  0.698  0.706  0.975  1.0
  Mn  Mn5  1  0.198  0.794  0.025  1.0
  Mn  Mn6  1  0.302  0.294  0.475  1.0
  Mn  Mn7  1  0.802  0.206  0.525  1.0
  Mn  Mn8  1  0.694  0.772  0.250  1.0
  Mn  Mn9  1  0.194  0.728  0.750  1.0
  Mn  Mn10  1  0.306  0.228  0.750  1.0
  Mn  Mn11  1  0.806  0.272  0.250  1.0
  Mn  Mn12  1  0.198  0.794  0.475  1.0
  Mn  Mn13  1  0.698  0.706  0.525  1.0
  Mn  Mn14  1  0.802  0.206  0.975  1.0
  Mn  Mn15  1  0.302  0.294  0.025  1.0
  O  O16  1  0.062  0.278  0.880  1.0
  O  O17  1  0.562  0.222  0.120  1.0
  O  O18  1  0.938  0.722  0.380  1.0
  O  O19  1  0.438  0.778  0.620  1.0
  O  O20  1  0.938  0.722  0.120  1.0
  O  O21  1  0.438  0.778  0.880  1.0
  O  O22  1  0.062  0.278  0.620  1.0
  O  O23  1  0.562  0.222  0.380  1.0
  O  O24  1  0.539  0.281  0.881  1.0
  O  O25  1  0.039  0.219  0.119  1.0
  O  O26  1  0.461  0.719  0.381  1.0
  O  O27  1  0.961  0.781  0.619  1.0
  O  O28  1  0.461  0.719  0.119  1.0
  O  O29  1  0.961  0.781  0.881  1.0
  O  O30  1  0.539  0.281  0.619  1.0
  O  O31  1  0.039  0.219  0.381  1.0
  O  O32  1  0.823  0.436  0.250  1.0
  O  O33  1  0.323  0.064  0.750  1.0
  O  O34  1  0.177  0.564  0.750  1.0
  O  O35  1  0.677  0.936  0.250  1.0
  O  O36  1  0.784  0.051  0.572  1.0
  O  O37  1  0.284  0.449  0.428  1.0
  O  O38  1  0.216  0.949  0.072  1.0
  O  O39  1  0.716  0.551  0.928  1.0
  O  O40  1  0.216  0.949  0.428  1.0
  O  O41  1  0.716  0.551  0.572  1.0
  O  O42  1  0.784  0.051  0.928  1.0
  O  O43  1  0.284  0.449  0.072  1.0
[/CIF]
.
The material structure described by CaMn3O7 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Mn(2) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Mn(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CaMn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   10.435
_cell_length_c   10.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.794
_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
  Ca  Ca0  1  0.319  0.056  0.250  1.0
  Ca  Ca1  1  0.819  0.444  0.750  1.0
  Ca  Ca2  1  0.681  0.944  0.750  1.0
  Ca  Ca3  1  0.181  0.556  0.250  1.0
  Mn  Mn4  1  0.698  0.706  0.975  1.0
  Mn  Mn5  1  0.198  0.794  0.025  1.0
  Mn  Mn6  1  0.302  0.294  0.475  1.0
  Mn  Mn7  1  0.802  0.206  0.525  1.0
  Mn  Mn8  1  0.694  0.772  0.250  1.0
  Mn  Mn9  1  0.194  0.728  0.750  1.0
  Mn  Mn10  1  0.306  0.228  0.750  1.0
  Mn  Mn11  1  0.806  0.272  0.250  1.0
  Mn  Mn12  1  0.198  0.794  0.475  1.0
  Mn  Mn13  1  0.698  0.706  0.525  1.0
  Mn  Mn14  1  0.802  0.206  0.975  1.0
  Mn  Mn15  1  0.302  0.294  0.025  1.0
  O  O16  1  0.062  0.278  0.880  1.0
  O  O17  1  0.562  0.222  0.120  1.0
  O  O18  1  0.938  0.722  0.380  1.0
  O  O19  1  0.438  0.778  0.620  1.0
  O  O20  1  0.938  0.722  0.120  1.0
  O  O21  1  0.438  0.778  0.880  1.0
  O  O22  1  0.062  0.278  0.620  1.0
  O  O23  1  0.562  0.222  0.380  1.0
  O  O24  1  0.539  0.281  0.881  1.0
  O  O25  1  0.039  0.219  0.119  1.0
  O  O26  1  0.461  0.719  0.381  1.0
  O  O27  1  0.961  0.781  0.619  1.0
  O  O28  1  0.461  0.719  0.119  1.0
  O  O29  1  0.961  0.781  0.881  1.0
  O  O30  1  0.539  0.281  0.619  1.0
  O  O31  1  0.039  0.219  0.381  1.0
  O  O32  1  0.823  0.436  0.250  1.0
  O  O33  1  0.323  0.064  0.750  1.0
  O  O34  1  0.177  0.564  0.750  1.0
  O  O35  1  0.677  0.936  0.250  1.0
  O  O36  1  0.784  0.051  0.572  1.0
  O  O37  1  0.284  0.449  0.428  1.0
  O  O38  1  0.216  0.949  0.072  1.0
  O  O39  1  0.716  0.551  0.928  1.0
  O  O40  1  0.216  0.949  0.428  1.0
  O  O41  1  0.716  0.551  0.572  1.0
  O  O42  1  0.784  0.051  0.928  1.0
  O  O43  1  0.284  0.449  0.072  1.0
[/CIF]
.