The material described by ErCO4 crystallizes in the orthorhombic P2_12_12_1 space group. Er(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Er(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Er(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one C(1) atom. is represented by the CIF card [CIF]
data_ErCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   7.044
_cell_length_c   8.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.308
_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
  Er  Er0  1  0.527  0.626  0.661  1.0
  Er  Er1  1  0.973  0.374  0.161  1.0
  Er  Er2  1  0.473  0.126  0.839  1.0
  Er  Er3  1  0.027  0.874  0.339  1.0
  C  C4  1  0.508  0.546  0.328  1.0
  C  C5  1  0.992  0.454  0.828  1.0
  C  C6  1  0.492  0.046  0.172  1.0
  C  C7  1  0.008  0.954  0.672  1.0
  O  O8  1  0.469  0.813  0.857  1.0
  O  O9  1  0.031  0.187  0.357  1.0
  O  O10  1  0.531  0.313  0.643  1.0
  O  O11  1  0.969  0.687  0.143  1.0
  O  O12  1  0.044  0.553  0.709  1.0
  O  O13  1  0.456  0.447  0.209  1.0
  O  O14  1  0.956  0.053  0.791  1.0
  O  O15  1  0.544  0.947  0.291  1.0
  O  O16  1  0.267  0.926  0.634  1.0
  O  O17  1  0.233  0.074  0.134  1.0
  O  O18  1  0.733  0.426  0.866  1.0
  O  O19  1  0.767  0.574  0.366  1.0
  O  O20  1  0.819  0.884  0.584  1.0
  O  O21  1  0.681  0.116  0.084  1.0
  O  O22  1  0.181  0.384  0.916  1.0
  O  O23  1  0.319  0.616  0.416  1.0
[/CIF]
.
The material described by ErCO4 crystallizes in the orthorhombic P2_12_12_1 space group. Er(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Er(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Er(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one C(1) atom. is represented by the CIF card [CIF]
data_ErCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   7.044
_cell_length_c   8.772
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.308
_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
  Er  Er0  1  0.527  0.626  0.661  1.0
  Er  Er1  1  0.973  0.374  0.161  1.0
  Er  Er2  1  0.473  0.126  0.839  1.0
  Er  Er3  1  0.027  0.874  0.339  1.0
  C  C4  1  0.508  0.546  0.328  1.0
  C  C5  1  0.992  0.454  0.828  1.0
  C  C6  1  0.492  0.046  0.172  1.0
  C  C7  1  0.008  0.954  0.672  1.0
  O  O8  1  0.469  0.813  0.857  1.0
  O  O9  1  0.031  0.187  0.357  1.0
  O  O10  1  0.531  0.313  0.643  1.0
  O  O11  1  0.969  0.687  0.143  1.0
  O  O12  1  0.044  0.553  0.709  1.0
  O  O13  1  0.456  0.447  0.209  1.0
  O  O14  1  0.956  0.053  0.791  1.0
  O  O15  1  0.544  0.947  0.291  1.0
  O  O16  1  0.267  0.926  0.634  1.0
  O  O17  1  0.233  0.074  0.134  1.0
  O  O18  1  0.733  0.426  0.866  1.0
  O  O19  1  0.767  0.574  0.366  1.0
  O  O20  1  0.819  0.884  0.584  1.0
  O  O21  1  0.681  0.116  0.084  1.0
  O  O22  1  0.181  0.384  0.916  1.0
  O  O23  1  0.319  0.616  0.416  1.0
[/CIF]
.