The compound described by La5Mo4O16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Mo site, Mo(2) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one Mo(1), and one Mo(3) atom to form distorted OLa2Mo2 tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra, corners with three equivalent O(6)La3Mo tetrahedra,  an edgeedge with one O(4)La3Mo tetrahedra, and  an edgeedge with one O(5)La3Mo tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(5)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(4)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form OLa3Mo tetrahedra that share  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with three equivalent O(1)La2Mo2 tetrahedra, edges with two equivalent O(4)La3Mo tetrahedra, and edges with two equivalent O(5)La3Mo tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mo(2), and one Mo(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.724
_cell_length_c   10.567
_cell_angle_alpha   93.485
_cell_angle_beta   94.062
_cell_angle_gamma   90.158
_symmetry_Int_Tables_number   1
_cell_volume   344.486
_cell_formula_units_Z   1
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
  La  La0  1  0.482  0.971  0.796  1.0
  La  La1  1  0.967  0.486  0.784  1.0
  La  La2  1  0.518  0.029  0.204  1.0
  La  La3  1  0.033  0.514  0.216  1.0
  La  La4  1  0.000  0.000  0.500  1.0
  Mo  Mo5  1  0.442  0.441  0.605  1.0
  Mo  Mo6  1  0.558  0.559  0.395  1.0
  Mo  Mo7  1  0.000  0.000  0.000  1.0
  Mo  Mo8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.552  0.550  0.804  1.0
  O  O10  1  0.448  0.450  0.196  1.0
  O  O11  1  0.692  0.689  0.565  1.0
  O  O12  1  0.308  0.311  0.435  1.0
  O  O13  1  0.920  0.911  0.825  1.0
  O  O14  1  0.080  0.089  0.175  1.0
  O  O15  1  0.700  0.222  0.640  1.0
  O  O16  1  0.222  0.698  0.639  1.0
  O  O17  1  0.300  0.778  0.360  1.0
  O  O18  1  0.778  0.302  0.361  1.0
  O  O19  1  0.218  0.212  0.674  1.0
  O  O20  1  0.782  0.788  0.326  1.0
  O  O21  1  0.694  0.182  0.003  1.0
  O  O22  1  0.306  0.818  0.997  1.0
  O  O23  1  0.814  0.711  0.050  1.0
  O  O24  1  0.186  0.289  0.950  1.0
[/CIF]
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The compound described by La5Mo4O16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Mo site, Mo(2) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one Mo(1), and one Mo(3) atom to form distorted OLa2Mo2 tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra, corners with three equivalent O(6)La3Mo tetrahedra,  an edgeedge with one O(4)La3Mo tetrahedra, and  an edgeedge with one O(5)La3Mo tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(5)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(4)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form OLa3Mo tetrahedra that share  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with three equivalent O(1)La2Mo2 tetrahedra, edges with two equivalent O(4)La3Mo tetrahedra, and edges with two equivalent O(5)La3Mo tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mo(2), and one Mo(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.724
_cell_length_c   10.567
_cell_angle_alpha   93.485
_cell_angle_beta   94.062
_cell_angle_gamma   90.158
_symmetry_Int_Tables_number   1
_cell_volume   344.486
_cell_formula_units_Z   1
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
  La  La0  1  0.482  0.971  0.796  1.0
  La  La1  1  0.967  0.486  0.784  1.0
  La  La2  1  0.518  0.029  0.204  1.0
  La  La3  1  0.033  0.514  0.216  1.0
  La  La4  1  0.000  0.000  0.500  1.0
  Mo  Mo5  1  0.442  0.441  0.605  1.0
  Mo  Mo6  1  0.558  0.559  0.395  1.0
  Mo  Mo7  1  0.000  0.000  0.000  1.0
  Mo  Mo8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.552  0.550  0.804  1.0
  O  O10  1  0.448  0.450  0.196  1.0
  O  O11  1  0.692  0.689  0.565  1.0
  O  O12  1  0.308  0.311  0.435  1.0
  O  O13  1  0.920  0.911  0.825  1.0
  O  O14  1  0.080  0.089  0.175  1.0
  O  O15  1  0.700  0.222  0.640  1.0
  O  O16  1  0.222  0.698  0.639  1.0
  O  O17  1  0.300  0.778  0.360  1.0
  O  O18  1  0.778  0.302  0.361  1.0
  O  O19  1  0.218  0.212  0.674  1.0
  O  O20  1  0.782  0.788  0.326  1.0
  O  O21  1  0.694  0.182  0.003  1.0
  O  O22  1  0.306  0.818  0.997  1.0
  O  O23  1  0.814  0.711  0.050  1.0
  O  O24  1  0.186  0.289  0.950  1.0
[/CIF]
.