The material described by Na2TmMoPO8 is Esseneite-derived structured and crystallizes in the orthorhombic Ibca space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Tm(1), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Tm(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Tm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2TmMoPO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.448
_cell_length_b   11.448
_cell_length_c   11.448
_cell_angle_alpha   145.083
_cell_angle_beta   115.936
_cell_angle_gamma   75.087
_symmetry_Int_Tables_number   1
_cell_volume   757.175
_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  0.214  0.666  0.576  1.0
  Na  Na1  1  0.786  0.334  0.424  1.0
  Na  Na2  1  0.591  0.639  0.924  1.0
  Na  Na3  1  0.909  0.834  0.048  1.0
  Na  Na4  1  0.409  0.361  0.076  1.0
  Na  Na5  1  0.091  0.166  0.952  1.0
  Na  Na6  1  0.286  0.861  0.452  1.0
  Na  Na7  1  0.714  0.139  0.548  1.0
  Tm  Tm8  1  0.322  0.750  0.072  1.0
  Tm  Tm9  1  0.678  0.250  0.928  1.0
  Tm  Tm10  1  0.178  0.250  0.428  1.0
  Tm  Tm11  1  0.822  0.750  0.572  1.0
  Mo  Mo12  1  0.573  0.823  0.750  1.0
  Mo  Mo13  1  0.427  0.177  0.250  1.0
  Mo  Mo14  1  0.927  0.677  0.250  1.0
  Mo  Mo15  1  0.073  0.323  0.750  1.0
  P  P16  1  0.069  0.750  0.819  1.0
  P  P17  1  0.931  0.250  0.181  1.0
  P  P18  1  0.431  0.250  0.681  1.0
  P  P19  1  0.569  0.750  0.319  1.0
  O  O20  1  0.440  0.196  0.772  1.0
  O  O21  1  0.560  0.804  0.228  1.0
  O  O22  1  0.925  0.668  0.728  1.0
  O  O23  1  0.575  0.304  0.743  1.0
  O  O24  1  0.075  0.332  0.272  1.0
  O  O25  1  0.425  0.696  0.257  1.0
  O  O26  1  0.060  0.832  0.757  1.0
  O  O27  1  0.940  0.168  0.243  1.0
  O  O28  1  0.158  0.582  0.723  1.0
  O  O29  1  0.842  0.418  0.277  1.0
  O  O30  1  0.359  0.434  0.777  1.0
  O  O31  1  0.141  0.918  0.075  1.0
  O  O32  1  0.641  0.566  0.223  1.0
  O  O33  1  0.859  0.082  0.925  1.0
  O  O34  1  0.342  0.066  0.425  1.0
  O  O35  1  0.658  0.934  0.575  1.0
  O  O36  1  0.395  0.908  0.063  1.0
  O  O37  1  0.605  0.092  0.937  1.0
  O  O38  1  0.345  0.332  0.437  1.0
  O  O39  1  0.155  0.592  0.987  1.0
  O  O40  1  0.655  0.668  0.563  1.0
  O  O41  1  0.845  0.408  0.013  1.0
  O  O42  1  0.105  0.168  0.513  1.0
  O  O43  1  0.895  0.832  0.487  1.0
  O  O44  1  0.637  0.811  0.912  1.0
  O  O45  1  0.363  0.189  0.088  1.0
  O  O46  1  0.399  0.725  0.588  1.0
  O  O47  1  0.101  0.689  0.326  1.0
  O  O48  1  0.601  0.275  0.412  1.0
  O  O49  1  0.899  0.311  0.674  1.0
  O  O50  1  0.863  0.775  0.174  1.0
  O  O51  1  0.137  0.225  0.826  1.0
[/CIF]
.
The material described by Na2TmMoPO8 is Esseneite-derived structured and crystallizes in the orthorhombic Ibca space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Tm(1), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Tm(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Tm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2TmMoPO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.448
_cell_length_b   11.448
_cell_length_c   11.448
_cell_angle_alpha   145.083
_cell_angle_beta   115.936
_cell_angle_gamma   75.087
_symmetry_Int_Tables_number   1
_cell_volume   757.175
_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  0.214  0.666  0.576  1.0
  Na  Na1  1  0.786  0.334  0.424  1.0
  Na  Na2  1  0.591  0.639  0.924  1.0
  Na  Na3  1  0.909  0.834  0.048  1.0
  Na  Na4  1  0.409  0.361  0.076  1.0
  Na  Na5  1  0.091  0.166  0.952  1.0
  Na  Na6  1  0.286  0.861  0.452  1.0
  Na  Na7  1  0.714  0.139  0.548  1.0
  Tm  Tm8  1  0.322  0.750  0.072  1.0
  Tm  Tm9  1  0.678  0.250  0.928  1.0
  Tm  Tm10  1  0.178  0.250  0.428  1.0
  Tm  Tm11  1  0.822  0.750  0.572  1.0
  Mo  Mo12  1  0.573  0.823  0.750  1.0
  Mo  Mo13  1  0.427  0.177  0.250  1.0
  Mo  Mo14  1  0.927  0.677  0.250  1.0
  Mo  Mo15  1  0.073  0.323  0.750  1.0
  P  P16  1  0.069  0.750  0.819  1.0
  P  P17  1  0.931  0.250  0.181  1.0
  P  P18  1  0.431  0.250  0.681  1.0
  P  P19  1  0.569  0.750  0.319  1.0
  O  O20  1  0.440  0.196  0.772  1.0
  O  O21  1  0.560  0.804  0.228  1.0
  O  O22  1  0.925  0.668  0.728  1.0
  O  O23  1  0.575  0.304  0.743  1.0
  O  O24  1  0.075  0.332  0.272  1.0
  O  O25  1  0.425  0.696  0.257  1.0
  O  O26  1  0.060  0.832  0.757  1.0
  O  O27  1  0.940  0.168  0.243  1.0
  O  O28  1  0.158  0.582  0.723  1.0
  O  O29  1  0.842  0.418  0.277  1.0
  O  O30  1  0.359  0.434  0.777  1.0
  O  O31  1  0.141  0.918  0.075  1.0
  O  O32  1  0.641  0.566  0.223  1.0
  O  O33  1  0.859  0.082  0.925  1.0
  O  O34  1  0.342  0.066  0.425  1.0
  O  O35  1  0.658  0.934  0.575  1.0
  O  O36  1  0.395  0.908  0.063  1.0
  O  O37  1  0.605  0.092  0.937  1.0
  O  O38  1  0.345  0.332  0.437  1.0
  O  O39  1  0.155  0.592  0.987  1.0
  O  O40  1  0.655  0.668  0.563  1.0
  O  O41  1  0.845  0.408  0.013  1.0
  O  O42  1  0.105  0.168  0.513  1.0
  O  O43  1  0.895  0.832  0.487  1.0
  O  O44  1  0.637  0.811  0.912  1.0
  O  O45  1  0.363  0.189  0.088  1.0
  O  O46  1  0.399  0.725  0.588  1.0
  O  O47  1  0.101  0.689  0.326  1.0
  O  O48  1  0.601  0.275  0.412  1.0
  O  O49  1  0.899  0.311  0.674  1.0
  O  O50  1  0.863  0.775  0.174  1.0
  O  O51  1  0.137  0.225  0.826  1.0
[/CIF]
.