The material structure described by NaErCl4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form NaCl6 octahedra that share corners with eight equivalent Er(1)Cl6 octahedra and edges with two equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Er(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form ErCl6 octahedra that share corners with eight equivalent Na(1)Cl6 octahedra and edges with two equivalent Er(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Er(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_NaErCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.305
_cell_length_b   6.724
_cell_length_c   7.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.211
_symmetry_Int_Tables_number   1
_cell_volume   321.999
_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
  Na  Na0  1  0.500  0.250  0.356  1.0
  Na  Na1  1  0.500  0.750  0.644  1.0
  Er  Er2  1  0.000  0.250  0.844  1.0
  Er  Er3  1  0.000  0.750  0.156  1.0
  Cl  Cl4  1  0.255  0.406  0.623  1.0
  Cl  Cl5  1  0.745  0.094  0.623  1.0
  Cl  Cl6  1  0.774  0.067  0.106  1.0
  Cl  Cl7  1  0.226  0.433  0.106  1.0
  Cl  Cl8  1  0.226  0.933  0.894  1.0
  Cl  Cl9  1  0.774  0.567  0.894  1.0
  Cl  Cl10  1  0.255  0.906  0.377  1.0
  Cl  Cl11  1  0.745  0.594  0.377  1.0
[/CIF]
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The material structure described by NaErCl4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form NaCl6 octahedra that share corners with eight equivalent Er(1)Cl6 octahedra and edges with two equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Er(1) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form ErCl6 octahedra that share corners with eight equivalent Na(1)Cl6 octahedra and edges with two equivalent Er(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Er(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_NaErCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.305
_cell_length_b   6.724
_cell_length_c   7.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.211
_symmetry_Int_Tables_number   1
_cell_volume   321.999
_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
  Na  Na0  1  0.500  0.250  0.356  1.0
  Na  Na1  1  0.500  0.750  0.644  1.0
  Er  Er2  1  0.000  0.250  0.844  1.0
  Er  Er3  1  0.000  0.750  0.156  1.0
  Cl  Cl4  1  0.255  0.406  0.623  1.0
  Cl  Cl5  1  0.745  0.094  0.623  1.0
  Cl  Cl6  1  0.774  0.067  0.106  1.0
  Cl  Cl7  1  0.226  0.433  0.106  1.0
  Cl  Cl8  1  0.226  0.933  0.894  1.0
  Cl  Cl9  1  0.774  0.567  0.894  1.0
  Cl  Cl10  1  0.255  0.906  0.377  1.0
  Cl  Cl11  1  0.745  0.594  0.377  1.0
[/CIF]
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