The material structure described by CsGaAs3H5O12 crystallizes in the monoclinic Cc space group. Cs(1) is bonded to one H(3), one H(4), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CsH2O10 cuboctahedra that share corners with three equivalent As(2)O4 tetrahedra, corners with three equivalent As(3)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Ga(1)O6 octahedra. Ga(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form GaO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and edges with two equivalent Cs(1)H2O10 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form AsO4 tetrahedra that share corners with four equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second As site, As(2) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form AsO4 tetrahedra that share corners with three equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third As site, As(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Cs(1) and one O(10) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(7) and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one As(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one As(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cs(1), one As(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cs(1), one As(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaAs3H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   7.871
_cell_length_c   15.345
_cell_angle_alpha   90.995
_cell_angle_beta   86.755
_cell_angle_gamma   107.860
_symmetry_Int_Tables_number   1
_cell_volume   554.079
_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
  Cs  Cs0  1  0.001  0.994  0.501  1.0
  Cs  Cs1  1  0.007  0.006  0.001  1.0
  Ga  Ga2  1  0.143  0.290  0.248  1.0
  Ga  Ga3  1  0.853  0.710  0.748  1.0
  As  As4  1  0.496  0.994  0.249  1.0
  As  As5  1  0.502  0.006  0.749  1.0
  As  As6  1  0.688  0.437  0.373  1.0
  As  As7  1  0.735  0.431  0.120  1.0
  As  As8  1  0.305  0.569  0.620  1.0
  As  As9  1  0.251  0.563  0.873  1.0
  H  H10  1  0.176  0.733  0.310  1.0
  H  H11  1  0.561  0.732  0.191  1.0
  H  H12  1  0.829  0.268  0.691  1.0
  H  H13  1  0.443  0.267  0.810  1.0
  H  H14  1  0.475  0.637  0.435  1.0
  H  H15  1  0.155  0.640  0.070  1.0
  H  H16  1  0.514  0.360  0.570  1.0
  H  H17  1  0.838  0.363  0.935  1.0
  H  H18  1  0.963  0.476  0.494  1.0
  H  H19  1  0.487  0.524  0.994  1.0
  O  O20  1  0.993  0.486  0.304  1.0
  O  O21  1  0.491  0.479  0.195  1.0
  O  O22  1  0.012  0.521  0.695  1.0
  O  O23  1  0.507  0.514  0.804  1.0
  O  O24  1  0.275  0.855  0.331  1.0
  O  O25  1  0.580  0.854  0.168  1.0
  O  O26  1  0.726  0.146  0.668  1.0
  O  O27  1  0.420  0.145  0.831  1.0
  O  O28  1  0.304  0.103  0.194  1.0
  O  O29  1  0.796  0.108  0.304  1.0
  O  O30  1  0.688  0.892  0.804  1.0
  O  O31  1  0.201  0.897  0.694  1.0
  O  O32  1  0.774  0.374  0.476  1.0
  O  O33  1  0.595  0.378  0.019  1.0
  O  O34  1  0.217  0.622  0.519  1.0
  O  O35  1  0.400  0.626  0.976  1.0
  O  O36  1  0.640  0.648  0.389  1.0
  O  O37  1  0.993  0.646  0.112  1.0
  O  O38  1  0.348  0.354  0.612  1.0
  O  O39  1  0.992  0.352  0.889  1.0
  O  O40  1  0.363  0.282  0.354  1.0
  O  O41  1  0.914  0.280  0.143  1.0
  O  O42  1  0.633  0.720  0.643  1.0
  O  O43  1  0.081  0.718  0.854  1.0
[/CIF]
.
The material structure described by CsGaAs3H5O12 crystallizes in the monoclinic Cc space group. Cs(1) is bonded to one H(3), one H(4), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted CsH2O10 cuboctahedra that share corners with three equivalent As(2)O4 tetrahedra, corners with three equivalent As(3)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Ga(1)O6 octahedra. Ga(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form GaO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and edges with two equivalent Cs(1)H2O10 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form AsO4 tetrahedra that share corners with four equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second As site, As(2) is bonded to one O(1), one O(11), one O(7), and one O(9) atom to form AsO4 tetrahedra that share corners with three equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third As site, As(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent Cs(1)H2O10 cuboctahedra and corners with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Cs(1) and one O(10) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(7) and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ga(1) and one As(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one As(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one As(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cs(1), one As(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cs(1), one As(2), and one H(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Ga(1), and one As(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaAs3H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   7.871
_cell_length_c   15.345
_cell_angle_alpha   90.995
_cell_angle_beta   86.755
_cell_angle_gamma   107.860
_symmetry_Int_Tables_number   1
_cell_volume   554.079
_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
  Cs  Cs0  1  0.001  0.994  0.501  1.0
  Cs  Cs1  1  0.007  0.006  0.001  1.0
  Ga  Ga2  1  0.143  0.290  0.248  1.0
  Ga  Ga3  1  0.853  0.710  0.748  1.0
  As  As4  1  0.496  0.994  0.249  1.0
  As  As5  1  0.502  0.006  0.749  1.0
  As  As6  1  0.688  0.437  0.373  1.0
  As  As7  1  0.735  0.431  0.120  1.0
  As  As8  1  0.305  0.569  0.620  1.0
  As  As9  1  0.251  0.563  0.873  1.0
  H  H10  1  0.176  0.733  0.310  1.0
  H  H11  1  0.561  0.732  0.191  1.0
  H  H12  1  0.829  0.268  0.691  1.0
  H  H13  1  0.443  0.267  0.810  1.0
  H  H14  1  0.475  0.637  0.435  1.0
  H  H15  1  0.155  0.640  0.070  1.0
  H  H16  1  0.514  0.360  0.570  1.0
  H  H17  1  0.838  0.363  0.935  1.0
  H  H18  1  0.963  0.476  0.494  1.0
  H  H19  1  0.487  0.524  0.994  1.0
  O  O20  1  0.993  0.486  0.304  1.0
  O  O21  1  0.491  0.479  0.195  1.0
  O  O22  1  0.012  0.521  0.695  1.0
  O  O23  1  0.507  0.514  0.804  1.0
  O  O24  1  0.275  0.855  0.331  1.0
  O  O25  1  0.580  0.854  0.168  1.0
  O  O26  1  0.726  0.146  0.668  1.0
  O  O27  1  0.420  0.145  0.831  1.0
  O  O28  1  0.304  0.103  0.194  1.0
  O  O29  1  0.796  0.108  0.304  1.0
  O  O30  1  0.688  0.892  0.804  1.0
  O  O31  1  0.201  0.897  0.694  1.0
  O  O32  1  0.774  0.374  0.476  1.0
  O  O33  1  0.595  0.378  0.019  1.0
  O  O34  1  0.217  0.622  0.519  1.0
  O  O35  1  0.400  0.626  0.976  1.0
  O  O36  1  0.640  0.648  0.389  1.0
  O  O37  1  0.993  0.646  0.112  1.0
  O  O38  1  0.348  0.354  0.612  1.0
  O  O39  1  0.992  0.352  0.889  1.0
  O  O40  1  0.363  0.282  0.354  1.0
  O  O41  1  0.914  0.280  0.143  1.0
  O  O42  1  0.633  0.720  0.643  1.0
  O  O43  1  0.081  0.718  0.854  1.0
[/CIF]
.