The crystal structure described by KGaAs2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second K site, K(2) 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. Ga(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form GaO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(2), one As(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ga(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ga(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ga(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one Ga(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Ga(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KGaAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.483
_cell_length_c   8.354
_cell_angle_alpha   96.525
_cell_angle_beta   103.900
_cell_angle_gamma   103.697
_symmetry_Int_Tables_number   1
_cell_volume   320.959
_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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  Ga  Ga2  1  0.375  0.191  0.725  1.0
  Ga  Ga3  1  0.625  0.809  0.275  1.0
  As  As4  1  0.825  0.034  0.690  1.0
  As  As5  1  0.482  0.746  0.835  1.0
  As  As6  1  0.175  0.966  0.310  1.0
  As  As7  1  0.518  0.254  0.165  1.0
  O  O8  1  0.231  0.116  0.147  1.0
  O  O9  1  0.309  0.875  0.722  1.0
  O  O10  1  0.574  0.499  0.287  1.0
  O  O11  1  0.909  0.803  0.219  1.0
  O  O12  1  0.691  0.125  0.278  1.0
  O  O13  1  0.769  0.884  0.853  1.0
  O  O14  1  0.335  0.788  0.330  1.0
  O  O15  1  0.445  0.737  0.029  1.0
  O  O16  1  0.426  0.501  0.713  1.0
  O  O17  1  0.207  0.153  0.480  1.0
  O  O18  1  0.793  0.847  0.520  1.0
  O  O19  1  0.091  0.197  0.781  1.0
  O  O20  1  0.555  0.263  0.971  1.0
  O  O21  1  0.665  0.212  0.670  1.0
[/CIF]
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The crystal structure described by KGaAs2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second K site, K(2) 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. Ga(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form GaO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second As site, As(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and  a cornercorner with one As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(2), one As(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one Ga(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ga(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ga(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one Ga(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Ga(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KGaAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.389
_cell_length_b   6.483
_cell_length_c   8.354
_cell_angle_alpha   96.525
_cell_angle_beta   103.900
_cell_angle_gamma   103.697
_symmetry_Int_Tables_number   1
_cell_volume   320.959
_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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.000  0.500  0.000  1.0
  Ga  Ga2  1  0.375  0.191  0.725  1.0
  Ga  Ga3  1  0.625  0.809  0.275  1.0
  As  As4  1  0.825  0.034  0.690  1.0
  As  As5  1  0.482  0.746  0.835  1.0
  As  As6  1  0.175  0.966  0.310  1.0
  As  As7  1  0.518  0.254  0.165  1.0
  O  O8  1  0.231  0.116  0.147  1.0
  O  O9  1  0.309  0.875  0.722  1.0
  O  O10  1  0.574  0.499  0.287  1.0
  O  O11  1  0.909  0.803  0.219  1.0
  O  O12  1  0.691  0.125  0.278  1.0
  O  O13  1  0.769  0.884  0.853  1.0
  O  O14  1  0.335  0.788  0.330  1.0
  O  O15  1  0.445  0.737  0.029  1.0
  O  O16  1  0.426  0.501  0.713  1.0
  O  O17  1  0.207  0.153  0.480  1.0
  O  O18  1  0.793  0.847  0.520  1.0
  O  O19  1  0.091  0.197  0.781  1.0
  O  O20  1  0.555  0.263  0.971  1.0
  O  O21  1  0.665  0.212  0.670  1.0
[/CIF]
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