The material described by MnCO3 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.971
_cell_length_c   6.939
_cell_angle_alpha   85.093
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.247
_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
  Mn  Mn0  1  0.227  0.411  0.905  1.0
  Mn  Mn1  1  0.727  0.589  0.595  1.0
  Mn  Mn2  1  0.773  0.589  0.095  1.0
  Mn  Mn3  1  0.273  0.411  0.405  1.0
  C  C4  1  0.399  0.933  0.952  1.0
  C  C5  1  0.899  0.067  0.548  1.0
  C  C6  1  0.601  0.067  0.048  1.0
  C  C7  1  0.101  0.933  0.452  1.0
  O  O8  1  0.444  0.720  0.957  1.0
  O  O9  1  0.944  0.280  0.543  1.0
  O  O10  1  0.556  0.280  0.043  1.0
  O  O11  1  0.056  0.720  0.457  1.0
  O  O12  1  0.213  0.033  0.879  1.0
  O  O13  1  0.713  0.967  0.621  1.0
  O  O14  1  0.787  0.967  0.121  1.0
  O  O15  1  0.287  0.033  0.379  1.0
  O  O16  1  0.912  0.573  0.839  1.0
  O  O17  1  0.412  0.427  0.661  1.0
  O  O18  1  0.088  0.427  0.161  1.0
  O  O19  1  0.588  0.573  0.339  1.0
[/CIF]
.
The material described by MnCO3 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.971
_cell_length_c   6.939
_cell_angle_alpha   85.093
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.247
_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
  Mn  Mn0  1  0.227  0.411  0.905  1.0
  Mn  Mn1  1  0.727  0.589  0.595  1.0
  Mn  Mn2  1  0.773  0.589  0.095  1.0
  Mn  Mn3  1  0.273  0.411  0.405  1.0
  C  C4  1  0.399  0.933  0.952  1.0
  C  C5  1  0.899  0.067  0.548  1.0
  C  C6  1  0.601  0.067  0.048  1.0
  C  C7  1  0.101  0.933  0.452  1.0
  O  O8  1  0.444  0.720  0.957  1.0
  O  O9  1  0.944  0.280  0.543  1.0
  O  O10  1  0.556  0.280  0.043  1.0
  O  O11  1  0.056  0.720  0.457  1.0
  O  O12  1  0.213  0.033  0.879  1.0
  O  O13  1  0.713  0.967  0.621  1.0
  O  O14  1  0.787  0.967  0.121  1.0
  O  O15  1  0.287  0.033  0.379  1.0
  O  O16  1  0.912  0.573  0.839  1.0
  O  O17  1  0.412  0.427  0.661  1.0
  O  O18  1  0.088  0.427  0.161  1.0
  O  O19  1  0.588  0.573  0.339  1.0
[/CIF]
.