The compound described by KMoO2AsO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KMoAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.759
_cell_length_b   7.140
_cell_length_c   10.942
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.062
_cell_formula_units_Z   4
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
  K  K0  1  0.500  0.000  0.500  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.750  0.548  0.340  1.0
  Mo  Mo5  1  0.250  0.452  0.660  1.0
  Mo  Mo6  1  0.250  0.048  0.160  1.0
  Mo  Mo7  1  0.750  0.952  0.840  1.0
  As  As8  1  0.750  0.543  0.654  1.0
  As  As9  1  0.250  0.457  0.346  1.0
  As  As10  1  0.750  0.957  0.154  1.0
  As  As11  1  0.250  0.043  0.846  1.0
  O  O12  1  0.750  0.328  0.409  1.0
  O  O13  1  0.456  0.603  0.350  1.0
  O  O14  1  0.750  0.815  0.028  1.0
  O  O15  1  0.250  0.315  0.472  1.0
  O  O16  1  0.750  0.488  0.186  1.0
  O  O17  1  0.750  0.650  0.795  1.0
  O  O18  1  0.956  0.397  0.650  1.0
  O  O19  1  0.750  0.012  0.686  1.0
  O  O20  1  0.044  0.897  0.850  1.0
  O  O21  1  0.750  0.850  0.295  1.0
  O  O22  1  0.544  0.103  0.150  1.0
  O  O23  1  0.956  0.103  0.150  1.0
  O  O24  1  0.250  0.988  0.314  1.0
  O  O25  1  0.250  0.350  0.205  1.0
  O  O26  1  0.750  0.685  0.528  1.0
  O  O27  1  0.250  0.512  0.814  1.0
  O  O28  1  0.250  0.185  0.972  1.0
  O  O29  1  0.044  0.603  0.350  1.0
  O  O30  1  0.750  0.172  0.909  1.0
  O  O31  1  0.456  0.897  0.850  1.0
  O  O32  1  0.250  0.150  0.705  1.0
  O  O33  1  0.250  0.672  0.591  1.0
  O  O34  1  0.544  0.397  0.650  1.0
  O  O35  1  0.250  0.828  0.091  1.0
[/CIF]
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The compound described by KMoO2AsO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mo(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KMoAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.759
_cell_length_b   7.140
_cell_length_c   10.942
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.062
_cell_formula_units_Z   4
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
  K  K0  1  0.500  0.000  0.500  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.750  0.548  0.340  1.0
  Mo  Mo5  1  0.250  0.452  0.660  1.0
  Mo  Mo6  1  0.250  0.048  0.160  1.0
  Mo  Mo7  1  0.750  0.952  0.840  1.0
  As  As8  1  0.750  0.543  0.654  1.0
  As  As9  1  0.250  0.457  0.346  1.0
  As  As10  1  0.750  0.957  0.154  1.0
  As  As11  1  0.250  0.043  0.846  1.0
  O  O12  1  0.750  0.328  0.409  1.0
  O  O13  1  0.456  0.603  0.350  1.0
  O  O14  1  0.750  0.815  0.028  1.0
  O  O15  1  0.250  0.315  0.472  1.0
  O  O16  1  0.750  0.488  0.186  1.0
  O  O17  1  0.750  0.650  0.795  1.0
  O  O18  1  0.956  0.397  0.650  1.0
  O  O19  1  0.750  0.012  0.686  1.0
  O  O20  1  0.044  0.897  0.850  1.0
  O  O21  1  0.750  0.850  0.295  1.0
  O  O22  1  0.544  0.103  0.150  1.0
  O  O23  1  0.956  0.103  0.150  1.0
  O  O24  1  0.250  0.988  0.314  1.0
  O  O25  1  0.250  0.350  0.205  1.0
  O  O26  1  0.750  0.685  0.528  1.0
  O  O27  1  0.250  0.512  0.814  1.0
  O  O28  1  0.250  0.185  0.972  1.0
  O  O29  1  0.044  0.603  0.350  1.0
  O  O30  1  0.750  0.172  0.909  1.0
  O  O31  1  0.456  0.897  0.850  1.0
  O  O32  1  0.250  0.150  0.705  1.0
  O  O33  1  0.250  0.672  0.591  1.0
  O  O34  1  0.544  0.397  0.650  1.0
  O  O35  1  0.250  0.828  0.091  1.0
[/CIF]
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