The material structure described by Er2MnC4 crystallizes in the orthorhombic Ibam space group. Er(1) is bonded in a 7-coordinate geometry to two equivalent C(1) and five equivalent C(2) atoms. Mn(1) is bonded to four equivalent C(1) atoms to form distorted MnC4 trigonal pyramids that share corners with four equivalent C(2)Er5C octahedra and edges with two equivalent Mn(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Er(1), two equivalent Mn(1), and one C(2) atom. In the second C site, C(2) is bonded to five equivalent Er(1) and one C(1) atom to form distorted CEr5C octahedra that share corners with six equivalent C(2)Er5C octahedra, corners with two equivalent Mn(1)C4 trigonal pyramids, and edges with seven equivalent C(2)Er5C octahedra. The corner-sharing octahedral tilt angles range from 7-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2MnC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.544
_cell_length_b   6.544
_cell_length_c   6.544
_cell_angle_alpha   134.997
_cell_angle_beta   109.572
_cell_angle_gamma   87.589
_symmetry_Int_Tables_number   1
_cell_volume   178.563
_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
  Er  Er0  1  0.510  0.855  0.655  1.0
  Er  Er1  1  0.490  0.145  0.345  1.0
  Er  Er2  1  0.800  0.645  0.155  1.0
  Er  Er3  1  0.200  0.355  0.845  1.0
  Mn  Mn4  1  0.000  0.250  0.250  1.0
  Mn  Mn5  1  0.000  0.750  0.750  1.0
  C  C6  1  0.251  0.579  0.672  1.0
  C  C7  1  0.749  0.421  0.328  1.0
  C  C8  1  0.093  0.921  0.172  1.0
  C  C9  1  0.907  0.079  0.828  1.0
  C  C10  1  0.472  0.629  0.843  1.0
  C  C11  1  0.528  0.371  0.157  1.0
  C  C12  1  0.786  0.129  0.657  1.0
  C  C13  1  0.214  0.871  0.343  1.0
[/CIF]
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The material structure described by Er2MnC4 crystallizes in the orthorhombic Ibam space group. Er(1) is bonded in a 7-coordinate geometry to two equivalent C(1) and five equivalent C(2) atoms. Mn(1) is bonded to four equivalent C(1) atoms to form distorted MnC4 trigonal pyramids that share corners with four equivalent C(2)Er5C octahedra and edges with two equivalent Mn(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Er(1), two equivalent Mn(1), and one C(2) atom. In the second C site, C(2) is bonded to five equivalent Er(1) and one C(1) atom to form distorted CEr5C octahedra that share corners with six equivalent C(2)Er5C octahedra, corners with two equivalent Mn(1)C4 trigonal pyramids, and edges with seven equivalent C(2)Er5C octahedra. The corner-sharing octahedral tilt angles range from 7-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er2MnC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.544
_cell_length_b   6.544
_cell_length_c   6.544
_cell_angle_alpha   134.997
_cell_angle_beta   109.572
_cell_angle_gamma   87.589
_symmetry_Int_Tables_number   1
_cell_volume   178.563
_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
  Er  Er0  1  0.510  0.855  0.655  1.0
  Er  Er1  1  0.490  0.145  0.345  1.0
  Er  Er2  1  0.800  0.645  0.155  1.0
  Er  Er3  1  0.200  0.355  0.845  1.0
  Mn  Mn4  1  0.000  0.250  0.250  1.0
  Mn  Mn5  1  0.000  0.750  0.750  1.0
  C  C6  1  0.251  0.579  0.672  1.0
  C  C7  1  0.749  0.421  0.328  1.0
  C  C8  1  0.093  0.921  0.172  1.0
  C  C9  1  0.907  0.079  0.828  1.0
  C  C10  1  0.472  0.629  0.843  1.0
  C  C11  1  0.528  0.371  0.157  1.0
  C  C12  1  0.786  0.129  0.657  1.0
  C  C13  1  0.214  0.871  0.343  1.0
[/CIF]
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