The crystal structure described by SrMo(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms. Mo(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one P(2) atom. is represented by the CIF card [CIF]
data_SrMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   7.135
_cell_length_c   9.338
_cell_angle_alpha   111.176
_cell_angle_beta   100.856
_cell_angle_gamma   98.014
_symmetry_Int_Tables_number   1
_cell_volume   339.958
_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
  Sr  Sr0  1  0.244  0.759  0.026  1.0
  Sr  Sr1  1  0.756  0.241  0.974  1.0
  Mo  Mo2  1  0.664  0.844  0.563  1.0
  Mo  Mo3  1  0.336  0.156  0.437  1.0
  P  P4  1  0.392  0.440  0.230  1.0
  P  P5  1  0.608  0.560  0.770  1.0
  P  P6  1  0.845  0.034  0.302  1.0
  P  P7  1  0.155  0.966  0.698  1.0
  O  O8  1  0.830  0.557  0.888  1.0
  O  O9  1  0.627  0.476  0.183  1.0
  O  O10  1  0.645  0.774  0.749  1.0
  O  O11  1  0.952  0.099  0.706  1.0
  O  O12  1  0.373  0.524  0.817  1.0
  O  O13  1  0.992  0.752  0.574  1.0
  O  O14  1  0.008  0.248  0.426  1.0
  O  O15  1  0.281  0.987  0.862  1.0
  O  O16  1  0.355  0.226  0.251  1.0
  O  O17  1  0.719  0.013  0.138  1.0
  O  O18  1  0.170  0.443  0.112  1.0
  O  O19  1  0.407  0.610  0.400  1.0
  O  O20  1  0.593  0.390  0.600  1.0
  O  O21  1  0.640  0.971  0.383  1.0
  O  O22  1  0.048  0.901  0.294  1.0
  O  O23  1  0.360  0.029  0.617  1.0
[/CIF]
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The crystal structure described by SrMo(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms. Mo(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one P(2) atom. is represented by the CIF card [CIF]
data_SrMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   7.135
_cell_length_c   9.338
_cell_angle_alpha   111.176
_cell_angle_beta   100.856
_cell_angle_gamma   98.014
_symmetry_Int_Tables_number   1
_cell_volume   339.958
_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
  Sr  Sr0  1  0.244  0.759  0.026  1.0
  Sr  Sr1  1  0.756  0.241  0.974  1.0
  Mo  Mo2  1  0.664  0.844  0.563  1.0
  Mo  Mo3  1  0.336  0.156  0.437  1.0
  P  P4  1  0.392  0.440  0.230  1.0
  P  P5  1  0.608  0.560  0.770  1.0
  P  P6  1  0.845  0.034  0.302  1.0
  P  P7  1  0.155  0.966  0.698  1.0
  O  O8  1  0.830  0.557  0.888  1.0
  O  O9  1  0.627  0.476  0.183  1.0
  O  O10  1  0.645  0.774  0.749  1.0
  O  O11  1  0.952  0.099  0.706  1.0
  O  O12  1  0.373  0.524  0.817  1.0
  O  O13  1  0.992  0.752  0.574  1.0
  O  O14  1  0.008  0.248  0.426  1.0
  O  O15  1  0.281  0.987  0.862  1.0
  O  O16  1  0.355  0.226  0.251  1.0
  O  O17  1  0.719  0.013  0.138  1.0
  O  O18  1  0.170  0.443  0.112  1.0
  O  O19  1  0.407  0.610  0.400  1.0
  O  O20  1  0.593  0.390  0.600  1.0
  O  O21  1  0.640  0.971  0.383  1.0
  O  O22  1  0.048  0.901  0.294  1.0
  O  O23  1  0.360  0.029  0.617  1.0
[/CIF]
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