The structure described by MnCO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 61°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. is represented by the CIF card [CIF]
data_MnCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   4.867
_cell_length_c   6.200
_cell_angle_alpha   89.539
_cell_angle_beta   73.788
_cell_angle_gamma   89.885
_symmetry_Int_Tables_number   1
_cell_volume   111.599
_cell_formula_units_Z   2
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
  C  C0  1  0.501  0.812  0.250  1.0
  C  C1  1  0.499  0.188  0.750  1.0
  Mn  Mn2  1  0.008  0.313  0.250  1.0
  Mn  Mn3  1  0.992  0.687  0.750  1.0
  O  O4  1  0.508  0.079  0.249  1.0
  O  O5  1  0.492  0.921  0.751  1.0
  O  O6  1  0.760  0.674  0.116  1.0
  O  O7  1  0.240  0.326  0.884  1.0
  O  O8  1  0.766  0.319  0.616  1.0
  O  O9  1  0.234  0.681  0.384  1.0
[/CIF]
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The structure described by MnCO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 61°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one C(1) atom. is represented by the CIF card [CIF]
data_MnCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.851
_cell_length_b   4.867
_cell_length_c   6.200
_cell_angle_alpha   89.539
_cell_angle_beta   73.788
_cell_angle_gamma   89.885
_symmetry_Int_Tables_number   1
_cell_volume   111.599
_cell_formula_units_Z   2
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
  C  C0  1  0.501  0.812  0.250  1.0
  C  C1  1  0.499  0.188  0.750  1.0
  Mn  Mn2  1  0.008  0.313  0.250  1.0
  Mn  Mn3  1  0.992  0.687  0.750  1.0
  O  O4  1  0.508  0.079  0.249  1.0
  O  O5  1  0.492  0.921  0.751  1.0
  O  O6  1  0.760  0.674  0.116  1.0
  O  O7  1  0.240  0.326  0.884  1.0
  O  O8  1  0.766  0.319  0.616  1.0
  O  O9  1  0.234  0.681  0.384  1.0
[/CIF]
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