The structure described by CsAlAs3H5O12 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Al(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. There are three inequivalent As sites. In the first As site, 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 two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the third As site, As(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(11) and one O(3) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Al(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Al(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one As(1), one H(4), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one As(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one As(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Al(1) and one As(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAlAs3H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   7.933
_cell_length_c   15.316
_cell_angle_alpha   89.077
_cell_angle_beta   86.901
_cell_angle_gamma   72.674
_symmetry_Int_Tables_number   1
_cell_volume   547.290
_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  0.015  0.973  0.501  1.0
  Cs  Cs1  1  0.988  0.027  0.001  1.0
  Al  Al2  1  0.891  0.284  0.747  1.0
  Al  Al3  1  0.175  0.716  0.247  1.0
  As  As4  1  0.297  0.433  0.871  1.0
  As  As5  1  0.730  0.567  0.371  1.0
  As  As6  1  0.531  0.998  0.751  1.0
  As  As7  1  0.528  0.002  0.251  1.0
  As  As8  1  0.348  0.417  0.622  1.0
  As  As9  1  0.766  0.583  0.122  1.0
  H  H10  1  0.867  0.664  0.900  1.0
  H  H11  1  0.531  0.336  0.400  1.0
  H  H12  1  0.837  0.729  0.695  1.0
  H  H13  1  0.566  0.271  0.195  1.0
  H  H14  1  0.318  0.797  0.818  1.0
  H  H15  1  0.115  0.203  0.318  1.0
  H  H16  1  0.084  0.439  0.501  1.0
  H  H17  1  0.523  0.561  0.001  1.0
  H  H18  1  0.558  0.613  0.554  1.0
  H  H19  1  0.172  0.387  0.054  1.0
  O  O20  1  0.110  0.285  0.849  1.0
  O  O21  1  0.395  0.715  0.349  1.0
  O  O22  1  0.559  0.461  0.795  1.0
  O  O23  1  0.020  0.539  0.295  1.0
  O  O24  1  0.416  0.399  0.974  1.0
  O  O25  1  0.815  0.601  0.474  1.0
  O  O26  1  0.055  0.654  0.866  1.0
  O  O27  1  0.708  0.346  0.366  1.0
  O  O28  1  0.227  0.106  0.695  1.0
  O  O29  1  0.332  0.894  0.195  1.0
  O  O30  1  0.742  0.101  0.802  1.0
  O  O31  1  0.843  0.899  0.302  1.0
  O  O32  1  0.748  0.849  0.671  1.0
  O  O33  1  0.597  0.151  0.171  1.0
  O  O34  1  0.442  0.869  0.837  1.0
  O  O35  1  0.310  0.131  0.337  1.0
  O  O36  1  0.678  0.268  0.645  1.0
  O  O37  1  0.946  0.732  0.145  1.0
  O  O38  1  0.040  0.466  0.692  1.0
  O  O39  1  0.505  0.534  0.192  1.0
  O  O40  1  0.268  0.341  0.522  1.0
  O  O41  1  0.610  0.659  0.022  1.0
  O  O42  1  0.390  0.626  0.600  1.0
  O  O43  1  0.016  0.374  0.100  1.0
[/CIF]
.
The structure described by CsAlAs3H5O12 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Al(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and corners with two equivalent As(3)O4 tetrahedra. There are three inequivalent As sites. In the first As site, 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 two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the third As site, As(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(11) and one O(3) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Al(1), and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Al(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one As(1), one H(4), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one As(1) and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one As(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(2), and one H(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cs(1), one Al(1), and one As(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Al(1) and one As(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cs(1), one As(3), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsAlAs3H5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.725
_cell_length_b   7.933
_cell_length_c   15.316
_cell_angle_alpha   89.077
_cell_angle_beta   86.901
_cell_angle_gamma   72.674
_symmetry_Int_Tables_number   1
_cell_volume   547.290
_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  0.015  0.973  0.501  1.0
  Cs  Cs1  1  0.988  0.027  0.001  1.0
  Al  Al2  1  0.891  0.284  0.747  1.0
  Al  Al3  1  0.175  0.716  0.247  1.0
  As  As4  1  0.297  0.433  0.871  1.0
  As  As5  1  0.730  0.567  0.371  1.0
  As  As6  1  0.531  0.998  0.751  1.0
  As  As7  1  0.528  0.002  0.251  1.0
  As  As8  1  0.348  0.417  0.622  1.0
  As  As9  1  0.766  0.583  0.122  1.0
  H  H10  1  0.867  0.664  0.900  1.0
  H  H11  1  0.531  0.336  0.400  1.0
  H  H12  1  0.837  0.729  0.695  1.0
  H  H13  1  0.566  0.271  0.195  1.0
  H  H14  1  0.318  0.797  0.818  1.0
  H  H15  1  0.115  0.203  0.318  1.0
  H  H16  1  0.084  0.439  0.501  1.0
  H  H17  1  0.523  0.561  0.001  1.0
  H  H18  1  0.558  0.613  0.554  1.0
  H  H19  1  0.172  0.387  0.054  1.0
  O  O20  1  0.110  0.285  0.849  1.0
  O  O21  1  0.395  0.715  0.349  1.0
  O  O22  1  0.559  0.461  0.795  1.0
  O  O23  1  0.020  0.539  0.295  1.0
  O  O24  1  0.416  0.399  0.974  1.0
  O  O25  1  0.815  0.601  0.474  1.0
  O  O26  1  0.055  0.654  0.866  1.0
  O  O27  1  0.708  0.346  0.366  1.0
  O  O28  1  0.227  0.106  0.695  1.0
  O  O29  1  0.332  0.894  0.195  1.0
  O  O30  1  0.742  0.101  0.802  1.0
  O  O31  1  0.843  0.899  0.302  1.0
  O  O32  1  0.748  0.849  0.671  1.0
  O  O33  1  0.597  0.151  0.171  1.0
  O  O34  1  0.442  0.869  0.837  1.0
  O  O35  1  0.310  0.131  0.337  1.0
  O  O36  1  0.678  0.268  0.645  1.0
  O  O37  1  0.946  0.732  0.145  1.0
  O  O38  1  0.040  0.466  0.692  1.0
  O  O39  1  0.505  0.534  0.192  1.0
  O  O40  1  0.268  0.341  0.522  1.0
  O  O41  1  0.610  0.659  0.022  1.0
  O  O42  1  0.390  0.626  0.600  1.0
  O  O43  1  0.016  0.374  0.100  1.0
[/CIF]
.