The crystal structure described by Li2ErCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Er(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Er(1), and one C(1) atom to form distorted edge-sharing OLi2ErC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Er(1), and one C(1) atom to form distorted edge-sharing OLi2ErC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Er(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Er(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li2ErPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.739
_cell_length_b   4.908
_cell_length_c   9.088
_cell_angle_alpha   86.651
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.087
_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
  Li  Li0  1  0.514  0.797  0.799  1.0
  Li  Li1  1  0.986  0.797  0.799  1.0
  Li  Li2  1  0.486  0.203  0.201  1.0
  Li  Li3  1  0.014  0.203  0.201  1.0
  Er  Er4  1  0.250  0.257  0.637  1.0
  Er  Er5  1  0.750  0.743  0.363  1.0
  P  P6  1  0.750  0.275  0.593  1.0
  P  P7  1  0.250  0.725  0.407  1.0
  C  C8  1  0.250  0.258  0.937  1.0
  C  C9  1  0.750  0.742  0.063  1.0
  O  O10  1  0.750  0.728  0.924  1.0
  O  O11  1  0.250  0.025  0.872  1.0
  O  O12  1  0.250  0.479  0.845  1.0
  O  O13  1  0.936  0.146  0.666  1.0
  O  O14  1  0.564  0.146  0.666  1.0
  O  O15  1  0.250  0.768  0.577  1.0
  O  O16  1  0.750  0.591  0.603  1.0
  O  O17  1  0.250  0.409  0.397  1.0
  O  O18  1  0.750  0.232  0.423  1.0
  O  O19  1  0.436  0.854  0.334  1.0
  O  O20  1  0.064  0.854  0.334  1.0
  O  O21  1  0.750  0.521  0.155  1.0
  O  O22  1  0.750  0.975  0.128  1.0
  O  O23  1  0.250  0.272  0.076  1.0
[/CIF]
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The crystal structure described by Li2ErCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Er(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Er(1), and one C(1) atom to form distorted edge-sharing OLi2ErC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Er(1), and one C(1) atom to form distorted edge-sharing OLi2ErC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Er(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Er(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Er(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Li2ErPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.739
_cell_length_b   4.908
_cell_length_c   9.088
_cell_angle_alpha   86.651
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.087
_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
  Li  Li0  1  0.514  0.797  0.799  1.0
  Li  Li1  1  0.986  0.797  0.799  1.0
  Li  Li2  1  0.486  0.203  0.201  1.0
  Li  Li3  1  0.014  0.203  0.201  1.0
  Er  Er4  1  0.250  0.257  0.637  1.0
  Er  Er5  1  0.750  0.743  0.363  1.0
  P  P6  1  0.750  0.275  0.593  1.0
  P  P7  1  0.250  0.725  0.407  1.0
  C  C8  1  0.250  0.258  0.937  1.0
  C  C9  1  0.750  0.742  0.063  1.0
  O  O10  1  0.750  0.728  0.924  1.0
  O  O11  1  0.250  0.025  0.872  1.0
  O  O12  1  0.250  0.479  0.845  1.0
  O  O13  1  0.936  0.146  0.666  1.0
  O  O14  1  0.564  0.146  0.666  1.0
  O  O15  1  0.250  0.768  0.577  1.0
  O  O16  1  0.750  0.591  0.603  1.0
  O  O17  1  0.250  0.409  0.397  1.0
  O  O18  1  0.750  0.232  0.423  1.0
  O  O19  1  0.436  0.854  0.334  1.0
  O  O20  1  0.064  0.854  0.334  1.0
  O  O21  1  0.750  0.521  0.155  1.0
  O  O22  1  0.750  0.975  0.128  1.0
  O  O23  1  0.250  0.272  0.076  1.0
[/CIF]
.