The material structure described by SrMo2(AsO6)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one As(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 As(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_SrMo2(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   6.682
_cell_length_c   10.683
_cell_angle_alpha   88.576
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.984
_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  0.000  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.952  0.752  0.836  1.0
  Mo  Mo3  1  0.452  0.248  0.664  1.0
  Mo  Mo4  1  0.048  0.248  0.164  1.0
  Mo  Mo5  1  0.548  0.752  0.336  1.0
  As  As6  1  0.958  0.742  0.155  1.0
  As  As7  1  0.458  0.258  0.345  1.0
  As  As8  1  0.042  0.258  0.845  1.0
  As  As9  1  0.542  0.742  0.655  1.0
  O  O10  1  0.814  0.723  0.027  1.0
  O  O11  1  0.314  0.277  0.473  1.0
  O  O12  1  0.186  0.277  0.973  1.0
  O  O13  1  0.686  0.723  0.527  1.0
  O  O14  1  0.120  0.548  0.160  1.0
  O  O15  1  0.620  0.452  0.340  1.0
  O  O16  1  0.880  0.452  0.840  1.0
  O  O17  1  0.380  0.548  0.660  1.0
  O  O18  1  0.091  0.960  0.140  1.0
  O  O19  1  0.591  0.040  0.360  1.0
  O  O20  1  0.909  0.040  0.860  1.0
  O  O21  1  0.409  0.960  0.640  1.0
  O  O22  1  0.853  0.743  0.300  1.0
  O  O23  1  0.353  0.257  0.200  1.0
  O  O24  1  0.147  0.257  0.700  1.0
  O  O25  1  0.647  0.743  0.800  1.0
  O  O26  1  0.176  0.714  0.903  1.0
  O  O27  1  0.676  0.286  0.597  1.0
  O  O28  1  0.824  0.286  0.097  1.0
  O  O29  1  0.324  0.714  0.403  1.0
  O  O30  1  0.007  0.757  0.677  1.0
  O  O31  1  0.507  0.243  0.823  1.0
  O  O32  1  0.993  0.243  0.323  1.0
  O  O33  1  0.493  0.757  0.177  1.0
[/CIF]
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The material structure described by SrMo2(AsO6)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one As(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 As(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_SrMo2(AsO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.034
_cell_length_b   6.682
_cell_length_c   10.683
_cell_angle_alpha   88.576
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   501.984
_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  0.000  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.952  0.752  0.836  1.0
  Mo  Mo3  1  0.452  0.248  0.664  1.0
  Mo  Mo4  1  0.048  0.248  0.164  1.0
  Mo  Mo5  1  0.548  0.752  0.336  1.0
  As  As6  1  0.958  0.742  0.155  1.0
  As  As7  1  0.458  0.258  0.345  1.0
  As  As8  1  0.042  0.258  0.845  1.0
  As  As9  1  0.542  0.742  0.655  1.0
  O  O10  1  0.814  0.723  0.027  1.0
  O  O11  1  0.314  0.277  0.473  1.0
  O  O12  1  0.186  0.277  0.973  1.0
  O  O13  1  0.686  0.723  0.527  1.0
  O  O14  1  0.120  0.548  0.160  1.0
  O  O15  1  0.620  0.452  0.340  1.0
  O  O16  1  0.880  0.452  0.840  1.0
  O  O17  1  0.380  0.548  0.660  1.0
  O  O18  1  0.091  0.960  0.140  1.0
  O  O19  1  0.591  0.040  0.360  1.0
  O  O20  1  0.909  0.040  0.860  1.0
  O  O21  1  0.409  0.960  0.640  1.0
  O  O22  1  0.853  0.743  0.300  1.0
  O  O23  1  0.353  0.257  0.200  1.0
  O  O24  1  0.147  0.257  0.700  1.0
  O  O25  1  0.647  0.743  0.800  1.0
  O  O26  1  0.176  0.714  0.903  1.0
  O  O27  1  0.676  0.286  0.597  1.0
  O  O28  1  0.824  0.286  0.097  1.0
  O  O29  1  0.324  0.714  0.403  1.0
  O  O30  1  0.007  0.757  0.677  1.0
  O  O31  1  0.507  0.243  0.823  1.0
  O  O32  1  0.993  0.243  0.323  1.0
  O  O33  1  0.493  0.757  0.177  1.0
[/CIF]
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