The crystal structure described by NaErGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Er(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Er(1)O6 octahedra, and edges with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-65°. Er(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ErO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Er(1)O6 octahedra, corners with four equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-65°. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Er(1)O6 octahedra,  an edgeedge with one Er(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Er(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Er(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Er(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaErGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   6.368
_cell_length_c   11.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.008
_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
  Na  Na0  1  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.500  0.500  1.0
  Er  Er4  1  0.005  0.750  0.777  1.0
  Er  Er5  1  0.505  0.250  0.723  1.0
  Er  Er6  1  0.995  0.250  0.223  1.0
  Er  Er7  1  0.495  0.750  0.277  1.0
  Ge  Ge8  1  0.054  0.750  0.097  1.0
  Ge  Ge9  1  0.554  0.250  0.403  1.0
  Ge  Ge10  1  0.946  0.250  0.903  1.0
  Ge  Ge11  1  0.446  0.750  0.597  1.0
  O  O12  1  0.791  0.040  0.826  1.0
  O  O13  1  0.291  0.960  0.674  1.0
  O  O14  1  0.209  0.540  0.174  1.0
  O  O15  1  0.709  0.460  0.326  1.0
  O  O16  1  0.209  0.960  0.174  1.0
  O  O17  1  0.709  0.040  0.326  1.0
  O  O18  1  0.791  0.460  0.826  1.0
  O  O19  1  0.291  0.540  0.674  1.0
  O  O20  1  0.176  0.750  0.953  1.0
  O  O21  1  0.676  0.250  0.547  1.0
  O  O22  1  0.824  0.250  0.047  1.0
  O  O23  1  0.324  0.750  0.453  1.0
  O  O24  1  0.775  0.750  0.610  1.0
  O  O25  1  0.275  0.250  0.890  1.0
  O  O26  1  0.225  0.250  0.390  1.0
  O  O27  1  0.725  0.750  0.110  1.0
[/CIF]
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The crystal structure described by NaErGeO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Er(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Er(1)O6 octahedra, and edges with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-65°. Er(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form ErO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Er(1)O6 octahedra, corners with four equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-65°. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Er(1)O6 octahedra,  an edgeedge with one Er(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Er(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Er(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Er(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaErGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   6.368
_cell_length_c   11.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.008
_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
  Na  Na0  1  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.000  0.500  0.500  1.0
  Er  Er4  1  0.005  0.750  0.777  1.0
  Er  Er5  1  0.505  0.250  0.723  1.0
  Er  Er6  1  0.995  0.250  0.223  1.0
  Er  Er7  1  0.495  0.750  0.277  1.0
  Ge  Ge8  1  0.054  0.750  0.097  1.0
  Ge  Ge9  1  0.554  0.250  0.403  1.0
  Ge  Ge10  1  0.946  0.250  0.903  1.0
  Ge  Ge11  1  0.446  0.750  0.597  1.0
  O  O12  1  0.791  0.040  0.826  1.0
  O  O13  1  0.291  0.960  0.674  1.0
  O  O14  1  0.209  0.540  0.174  1.0
  O  O15  1  0.709  0.460  0.326  1.0
  O  O16  1  0.209  0.960  0.174  1.0
  O  O17  1  0.709  0.040  0.326  1.0
  O  O18  1  0.791  0.460  0.826  1.0
  O  O19  1  0.291  0.540  0.674  1.0
  O  O20  1  0.176  0.750  0.953  1.0
  O  O21  1  0.676  0.250  0.547  1.0
  O  O22  1  0.824  0.250  0.047  1.0
  O  O23  1  0.324  0.750  0.453  1.0
  O  O24  1  0.775  0.750  0.610  1.0
  O  O25  1  0.275  0.250  0.890  1.0
  O  O26  1  0.225  0.250  0.390  1.0
  O  O27  1  0.725  0.750  0.110  1.0
[/CIF]
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