The material described by KSm(CO3)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. 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 2-coordinate geometry to two equivalent K(1), one Sm(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sm(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent Sm(1), and one C(1) atom. is represented by the CIF file [CIF]
data_KSm(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.461
_cell_length_b   6.461
_cell_length_c   6.970
_cell_angle_alpha   76.704
_cell_angle_beta   76.704
_cell_angle_gamma   98.001
_symmetry_Int_Tables_number   1
_cell_volume   269.854
_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
  K  K0  1  0.627  0.373  0.750  1.0
  K  K1  1  0.373  0.627  0.250  1.0
  Sm  Sm2  1  0.097  0.903  0.750  1.0
  Sm  Sm3  1  0.903  0.097  0.250  1.0
  C  C4  1  0.644  0.888  0.764  1.0
  C  C5  1  0.356  0.112  0.236  1.0
  C  C6  1  0.112  0.356  0.736  1.0
  C  C7  1  0.888  0.644  0.264  1.0
  O  O8  1  0.446  0.900  0.790  1.0
  O  O9  1  0.554  0.100  0.210  1.0
  O  O10  1  0.100  0.554  0.710  1.0
  O  O11  1  0.900  0.446  0.290  1.0
  O  O12  1  0.709  0.746  0.886  1.0
  O  O13  1  0.291  0.254  0.114  1.0
  O  O14  1  0.254  0.291  0.614  1.0
  O  O15  1  0.746  0.709  0.386  1.0
  O  O16  1  0.795  0.027  0.612  1.0
  O  O17  1  0.205  0.973  0.388  1.0
  O  O18  1  0.973  0.205  0.888  1.0
  O  O19  1  0.027  0.795  0.112  1.0
[/CIF]
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The material described by KSm(CO3)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. 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 2-coordinate geometry to two equivalent K(1), one Sm(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sm(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent Sm(1), and one C(1) atom. is represented by the CIF file [CIF]
data_KSm(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.461
_cell_length_b   6.461
_cell_length_c   6.970
_cell_angle_alpha   76.704
_cell_angle_beta   76.704
_cell_angle_gamma   98.001
_symmetry_Int_Tables_number   1
_cell_volume   269.854
_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
  K  K0  1  0.627  0.373  0.750  1.0
  K  K1  1  0.373  0.627  0.250  1.0
  Sm  Sm2  1  0.097  0.903  0.750  1.0
  Sm  Sm3  1  0.903  0.097  0.250  1.0
  C  C4  1  0.644  0.888  0.764  1.0
  C  C5  1  0.356  0.112  0.236  1.0
  C  C6  1  0.112  0.356  0.736  1.0
  C  C7  1  0.888  0.644  0.264  1.0
  O  O8  1  0.446  0.900  0.790  1.0
  O  O9  1  0.554  0.100  0.210  1.0
  O  O10  1  0.100  0.554  0.710  1.0
  O  O11  1  0.900  0.446  0.290  1.0
  O  O12  1  0.709  0.746  0.886  1.0
  O  O13  1  0.291  0.254  0.114  1.0
  O  O14  1  0.254  0.291  0.614  1.0
  O  O15  1  0.746  0.709  0.386  1.0
  O  O16  1  0.795  0.027  0.612  1.0
  O  O17  1  0.205  0.973  0.388  1.0
  O  O18  1  0.973  0.205  0.888  1.0
  O  O19  1  0.027  0.795  0.112  1.0
[/CIF]
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