The material structure described by Mo2P4Si4O23 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(11), one O(2), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-38°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Si(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si4Mo2P4O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   8.410
_cell_length_c   11.192
_cell_angle_alpha   77.535
_cell_angle_beta   77.817
_cell_angle_gamma   73.192
_symmetry_Int_Tables_number   1
_cell_volume   454.428
_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
  Si  Si0  1  0.059  0.184  0.716  1.0
  Si  Si1  1  0.441  0.688  0.426  1.0
  Si  Si2  1  0.559  0.312  0.574  1.0
  Si  Si3  1  0.941  0.816  0.284  1.0
  Mo  Mo4  1  0.289  0.255  0.150  1.0
  Mo  Mo5  1  0.711  0.745  0.850  1.0
  P  P6  1  0.159  0.688  0.050  1.0
  P  P7  1  0.250  0.808  0.668  1.0
  P  P8  1  0.750  0.192  0.332  1.0
  P  P9  1  0.841  0.312  0.950  1.0
  O  O10  1  0.410  0.046  0.176  1.0
  O  O11  1  0.970  0.173  0.864  1.0
  O  O12  1  0.859  0.479  0.872  1.0
  O  O13  1  0.141  0.521  0.128  1.0
  O  O14  1  0.362  0.818  0.527  1.0
  O  O15  1  0.470  0.706  0.741  1.0
  O  O16  1  0.549  0.302  0.995  1.0
  O  O17  1  0.705  0.721  0.334  1.0
  O  O18  1  0.999  0.741  0.944  1.0
  O  O19  1  0.638  0.182  0.473  1.0
  O  O20  1  0.590  0.954  0.824  1.0
  O  O21  1  0.004  0.740  0.694  1.0
  O  O22  1  0.169  0.994  0.686  1.0
  O  O23  1  0.807  0.278  0.645  1.0
  O  O24  1  0.996  0.260  0.306  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.001  0.259  0.056  1.0
  O  O27  1  0.451  0.698  0.005  1.0
  O  O28  1  0.193  0.722  0.355  1.0
  O  O29  1  0.295  0.279  0.666  1.0
  O  O30  1  0.530  0.294  0.259  1.0
  O  O31  1  0.030  0.827  0.136  1.0
  O  O32  1  0.831  0.006  0.314  1.0
[/CIF]
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The material structure described by Mo2P4Si4O23 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(11), one O(2), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-38°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Si(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si4Mo2P4O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   8.410
_cell_length_c   11.192
_cell_angle_alpha   77.535
_cell_angle_beta   77.817
_cell_angle_gamma   73.192
_symmetry_Int_Tables_number   1
_cell_volume   454.428
_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
  Si  Si0  1  0.059  0.184  0.716  1.0
  Si  Si1  1  0.441  0.688  0.426  1.0
  Si  Si2  1  0.559  0.312  0.574  1.0
  Si  Si3  1  0.941  0.816  0.284  1.0
  Mo  Mo4  1  0.289  0.255  0.150  1.0
  Mo  Mo5  1  0.711  0.745  0.850  1.0
  P  P6  1  0.159  0.688  0.050  1.0
  P  P7  1  0.250  0.808  0.668  1.0
  P  P8  1  0.750  0.192  0.332  1.0
  P  P9  1  0.841  0.312  0.950  1.0
  O  O10  1  0.410  0.046  0.176  1.0
  O  O11  1  0.970  0.173  0.864  1.0
  O  O12  1  0.859  0.479  0.872  1.0
  O  O13  1  0.141  0.521  0.128  1.0
  O  O14  1  0.362  0.818  0.527  1.0
  O  O15  1  0.470  0.706  0.741  1.0
  O  O16  1  0.549  0.302  0.995  1.0
  O  O17  1  0.705  0.721  0.334  1.0
  O  O18  1  0.999  0.741  0.944  1.0
  O  O19  1  0.638  0.182  0.473  1.0
  O  O20  1  0.590  0.954  0.824  1.0
  O  O21  1  0.004  0.740  0.694  1.0
  O  O22  1  0.169  0.994  0.686  1.0
  O  O23  1  0.807  0.278  0.645  1.0
  O  O24  1  0.996  0.260  0.306  1.0
  O  O25  1  0.500  0.500  0.500  1.0
  O  O26  1  0.001  0.259  0.056  1.0
  O  O27  1  0.451  0.698  0.005  1.0
  O  O28  1  0.193  0.722  0.355  1.0
  O  O29  1  0.295  0.279  0.666  1.0
  O  O30  1  0.530  0.294  0.259  1.0
  O  O31  1  0.030  0.827  0.136  1.0
  O  O32  1  0.831  0.006  0.314  1.0
[/CIF]
.