The material described by NaTmGeO4 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 Tm(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Tm(1)O6 octahedra, and edges with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-66°. Tm(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form TmO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Tm(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 46-66°. Ge(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Tm(1)O6 octahedra,  an edgeedge with one Tm(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Tm(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Tm(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Na(1), one Tm(1), and one Ge(1) atom to form distorted corner-sharing ONa2TmGe tetrahedra. is represented by the CIF card [CIF]
data_NaTmGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.428
_cell_length_c   11.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.204
_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
  Tm  Tm4  1  0.994  0.750  0.777  1.0
  Tm  Tm5  1  0.494  0.250  0.723  1.0
  Tm  Tm6  1  0.006  0.250  0.223  1.0
  Tm  Tm7  1  0.506  0.750  0.277  1.0
  Ge  Ge8  1  0.949  0.750  0.099  1.0
  Ge  Ge9  1  0.449  0.250  0.401  1.0
  Ge  Ge10  1  0.051  0.250  0.901  1.0
  Ge  Ge11  1  0.551  0.750  0.599  1.0
  O  O12  1  0.831  0.750  0.954  1.0
  O  O13  1  0.331  0.250  0.546  1.0
  O  O14  1  0.169  0.250  0.046  1.0
  O  O15  1  0.669  0.750  0.454  1.0
  O  O16  1  0.207  0.041  0.824  1.0
  O  O17  1  0.707  0.959  0.676  1.0
  O  O18  1  0.793  0.541  0.176  1.0
  O  O19  1  0.293  0.459  0.324  1.0
  O  O20  1  0.793  0.959  0.176  1.0
  O  O21  1  0.293  0.041  0.324  1.0
  O  O22  1  0.207  0.459  0.824  1.0
  O  O23  1  0.707  0.541  0.676  1.0
  O  O24  1  0.223  0.750  0.612  1.0
  O  O25  1  0.723  0.250  0.888  1.0
  O  O26  1  0.777  0.250  0.388  1.0
  O  O27  1  0.277  0.750  0.112  1.0
[/CIF]
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The material described by NaTmGeO4 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 Tm(1)O6 octahedra, corners with two equivalent Ge(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Tm(1)O6 octahedra, and edges with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-66°. Tm(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form TmO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Tm(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 46-66°. Ge(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Tm(1)O6 octahedra,  an edgeedge with one Tm(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Tm(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Tm(1), and one Ge(1) atom. In the third O site, O(3) is bonded to two equivalent Na(1), one Tm(1), and one Ge(1) atom to form distorted corner-sharing ONa2TmGe tetrahedra. is represented by the CIF card [CIF]
data_NaTmGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.428
_cell_length_c   11.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.204
_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
  Tm  Tm4  1  0.994  0.750  0.777  1.0
  Tm  Tm5  1  0.494  0.250  0.723  1.0
  Tm  Tm6  1  0.006  0.250  0.223  1.0
  Tm  Tm7  1  0.506  0.750  0.277  1.0
  Ge  Ge8  1  0.949  0.750  0.099  1.0
  Ge  Ge9  1  0.449  0.250  0.401  1.0
  Ge  Ge10  1  0.051  0.250  0.901  1.0
  Ge  Ge11  1  0.551  0.750  0.599  1.0
  O  O12  1  0.831  0.750  0.954  1.0
  O  O13  1  0.331  0.250  0.546  1.0
  O  O14  1  0.169  0.250  0.046  1.0
  O  O15  1  0.669  0.750  0.454  1.0
  O  O16  1  0.207  0.041  0.824  1.0
  O  O17  1  0.707  0.959  0.676  1.0
  O  O18  1  0.793  0.541  0.176  1.0
  O  O19  1  0.293  0.459  0.324  1.0
  O  O20  1  0.793  0.959  0.176  1.0
  O  O21  1  0.293  0.041  0.324  1.0
  O  O22  1  0.207  0.459  0.824  1.0
  O  O23  1  0.707  0.541  0.676  1.0
  O  O24  1  0.223  0.750  0.612  1.0
  O  O25  1  0.723  0.250  0.888  1.0
  O  O26  1  0.777  0.250  0.388  1.0
  O  O27  1  0.277  0.750  0.112  1.0
[/CIF]
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