The material structure described by LiMoP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(19), one O(20), and one O(26) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(14), one O(23), and one O(6) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(21), one O(22), one O(25), one O(7), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(15), one O(18), one O(3), and one O(4) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(23), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(12), one O(16), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-41°. In the third P site, P(3) is bonded to one O(12), one O(17), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth P site, P(4) is bonded to one O(19), one O(21), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the fifth P site, P(5) is bonded to one O(10), one O(14), one O(2), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the seventh P site, P(7) is bonded to one O(13), one O(15), one O(26), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the eighth P site, P(8) is bonded to one O(1), one O(24), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(5) and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(7) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(4) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Li(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. is represented by the CIF file [CIF]
data_LiMoP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   8.048
_cell_length_c   14.394
_cell_angle_alpha   81.710
_cell_angle_beta   82.375
_cell_angle_gamma   80.364
_symmetry_Int_Tables_number   1
_cell_volume   584.908
_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
  Li  Li0  1  0.413  0.482  0.497  1.0
  Li  Li1  1  0.989  0.627  0.010  1.0
  Mo  Mo2  1  0.421  0.059  0.256  1.0
  Mo  Mo3  1  0.575  0.941  0.739  1.0
  P  P4  1  0.353  0.578  0.814  1.0
  P  P5  1  0.987  0.100  0.849  1.0
  P  P6  1  0.712  0.331  0.705  1.0
  P  P7  1  0.838  0.225  0.357  1.0
  P  P8  1  0.001  0.887  0.155  1.0
  P  P9  1  0.280  0.668  0.299  1.0
  P  P10  1  0.157  0.773  0.637  1.0
  P  P11  1  0.648  0.428  0.182  1.0
  O  O12  1  0.479  0.601  0.212  1.0
  O  O13  1  0.702  0.962  0.167  1.0
  O  O14  1  0.590  0.181  0.680  1.0
  O  O15  1  0.834  0.962  0.825  1.0
  O  O16  1  0.168  0.634  0.731  1.0
  O  O17  1  0.797  0.470  0.090  1.0
  O  O18  1  0.394  0.823  0.321  1.0
  O  O19  1  0.459  0.295  0.190  1.0
  O  O20  1  0.509  0.398  0.791  1.0
  O  O21  1  0.022  0.743  0.248  1.0
  O  O22  1  0.554  0.703  0.802  1.0
  O  O23  1  0.964  0.250  0.758  1.0
  O  O24  1  0.317  0.912  0.652  1.0
  O  O25  1  0.082  0.808  0.067  1.0
  O  O26  1  0.862  0.858  0.648  1.0
  O  O27  1  0.906  0.161  0.941  1.0
  O  O28  1  0.764  0.463  0.626  1.0
  O  O29  1  0.286  0.023  0.829  1.0
  O  O30  1  0.731  0.297  0.445  1.0
  O  O31  1  0.238  0.534  0.377  1.0
  O  O32  1  0.139  0.149  0.348  1.0
  O  O33  1  0.155  0.027  0.173  1.0
  O  O34  1  0.197  0.555  0.906  1.0
  O  O35  1  0.835  0.367  0.264  1.0
  O  O36  1  0.695  0.082  0.335  1.0
  O  O37  1  0.240  0.691  0.551  1.0
[/CIF]
.
The material structure described by LiMoP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(19), one O(20), and one O(26) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(14), one O(23), and one O(6) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(21), one O(22), one O(25), one O(7), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(15), one O(18), one O(3), and one O(4) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(23), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(12), one O(16), one O(18), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-41°. In the third P site, P(3) is bonded to one O(12), one O(17), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth P site, P(4) is bonded to one O(19), one O(21), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the fifth P site, P(5) is bonded to one O(10), one O(14), one O(2), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the seventh P site, P(7) is bonded to one O(13), one O(15), one O(26), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the eighth P site, P(8) is bonded to one O(1), one O(24), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(5) and one P(6) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(7) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one P(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(4) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Li(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(8) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. is represented by the CIF file [CIF]
data_LiMoP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   8.048
_cell_length_c   14.394
_cell_angle_alpha   81.710
_cell_angle_beta   82.375
_cell_angle_gamma   80.364
_symmetry_Int_Tables_number   1
_cell_volume   584.908
_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
  Li  Li0  1  0.413  0.482  0.497  1.0
  Li  Li1  1  0.989  0.627  0.010  1.0
  Mo  Mo2  1  0.421  0.059  0.256  1.0
  Mo  Mo3  1  0.575  0.941  0.739  1.0
  P  P4  1  0.353  0.578  0.814  1.0
  P  P5  1  0.987  0.100  0.849  1.0
  P  P6  1  0.712  0.331  0.705  1.0
  P  P7  1  0.838  0.225  0.357  1.0
  P  P8  1  0.001  0.887  0.155  1.0
  P  P9  1  0.280  0.668  0.299  1.0
  P  P10  1  0.157  0.773  0.637  1.0
  P  P11  1  0.648  0.428  0.182  1.0
  O  O12  1  0.479  0.601  0.212  1.0
  O  O13  1  0.702  0.962  0.167  1.0
  O  O14  1  0.590  0.181  0.680  1.0
  O  O15  1  0.834  0.962  0.825  1.0
  O  O16  1  0.168  0.634  0.731  1.0
  O  O17  1  0.797  0.470  0.090  1.0
  O  O18  1  0.394  0.823  0.321  1.0
  O  O19  1  0.459  0.295  0.190  1.0
  O  O20  1  0.509  0.398  0.791  1.0
  O  O21  1  0.022  0.743  0.248  1.0
  O  O22  1  0.554  0.703  0.802  1.0
  O  O23  1  0.964  0.250  0.758  1.0
  O  O24  1  0.317  0.912  0.652  1.0
  O  O25  1  0.082  0.808  0.067  1.0
  O  O26  1  0.862  0.858  0.648  1.0
  O  O27  1  0.906  0.161  0.941  1.0
  O  O28  1  0.764  0.463  0.626  1.0
  O  O29  1  0.286  0.023  0.829  1.0
  O  O30  1  0.731  0.297  0.445  1.0
  O  O31  1  0.238  0.534  0.377  1.0
  O  O32  1  0.139  0.149  0.348  1.0
  O  O33  1  0.155  0.027  0.173  1.0
  O  O34  1  0.197  0.555  0.906  1.0
  O  O35  1  0.835  0.367  0.264  1.0
  O  O36  1  0.695  0.082  0.335  1.0
  O  O37  1  0.240  0.691  0.551  1.0
[/CIF]
.