The material described by KInAs3H7O13 crystallizes in the monoclinic Pc space group. K(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom. In(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form InO6 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(11), one O(5), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second As site, As(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third As site, As(3) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(11) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(13) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(1) and one O(2) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one As(1) and one H(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one As(2), one H(1), and one H(7) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one In(1), and one As(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one In(1) and one As(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one In(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one As(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one As(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one K(1), one In(1), and one As(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one In(1), and one As(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one K(1), one As(1), and one H(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(1), one As(2), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one H(3), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KInAs3H7O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   8.843
_cell_length_c   14.308
_cell_angle_alpha   90.000
_cell_angle_beta   94.504
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.945
_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  0.151  0.006  0.511  1.0
  K  K1  1  0.651  0.994  0.011  1.0
  In  In2  1  0.250  0.229  0.753  1.0
  In  In3  1  0.750  0.771  0.253  1.0
  As  As4  1  0.700  0.346  0.598  1.0
  As  As5  1  0.296  0.642  0.404  1.0
  As  As6  1  0.796  0.358  0.904  1.0
  As  As7  1  0.200  0.654  0.098  1.0
  As  As8  1  0.748  0.958  0.747  1.0
  As  As9  1  0.248  0.042  0.247  1.0
  H  H10  1  0.393  0.338  0.472  1.0
  H  H11  1  0.604  0.676  0.529  1.0
  H  H12  1  0.104  0.324  0.029  1.0
  H  H13  1  0.893  0.662  0.972  1.0
  H  H14  1  0.475  0.770  0.805  1.0
  H  H15  1  0.514  0.232  0.192  1.0
  H  H16  1  0.014  0.768  0.692  1.0
  H  H17  1  0.975  0.230  0.305  1.0
  H  H18  1  0.348  0.587  0.711  1.0
  H  H19  1  0.647  0.416  0.289  1.0
  H  H20  1  0.147  0.584  0.789  1.0
  H  H21  1  0.848  0.413  0.211  1.0
  H  H22  1  0.975  0.498  0.509  1.0
  H  H23  1  0.475  0.502  0.009  1.0
  O  O24  1  0.821  0.518  0.557  1.0
  O  O25  1  0.185  0.475  0.446  1.0
  O  O26  1  0.685  0.525  0.946  1.0
  O  O27  1  0.321  0.482  0.057  1.0
  O  O28  1  0.488  0.053  0.688  1.0
  O  O29  1  0.503  0.949  0.310  1.0
  O  O30  1  0.003  0.051  0.810  1.0
  O  O31  1  0.988  0.947  0.188  1.0
  O  O32  1  0.485  0.400  0.681  1.0
  O  O33  1  0.517  0.599  0.320  1.0
  O  O34  1  0.017  0.401  0.820  1.0
  O  O35  1  0.985  0.600  0.181  1.0
  O  O36  1  0.624  0.839  0.833  1.0
  O  O37  1  0.375  0.160  0.161  1.0
  O  O38  1  0.875  0.840  0.661  1.0
  O  O39  1  0.124  0.161  0.333  1.0
  O  O40  1  0.963  0.226  0.628  1.0
  O  O41  1  0.038  0.768  0.375  1.0
  O  O42  1  0.538  0.232  0.875  1.0
  O  O43  1  0.463  0.774  0.128  1.0
  O  O44  1  0.524  0.258  0.501  1.0
  O  O45  1  0.467  0.746  0.498  1.0
  O  O46  1  0.967  0.254  0.998  1.0
  O  O47  1  0.024  0.742  0.001  1.0
  O  O48  1  0.245  0.656  0.750  1.0
  O  O49  1  0.745  0.344  0.250  1.0
[/CIF]
.
The material described by KInAs3H7O13 crystallizes in the monoclinic Pc space group. K(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom. In(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form InO6 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(11), one O(5), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second As site, As(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third As site, As(3) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(11) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(12) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(13) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(13) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(1) and one O(2) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one As(1) and one H(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one As(2), one H(1), and one H(7) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one In(1), and one As(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one In(1) and one As(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one In(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one As(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one As(3), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one K(1), one In(1), and one As(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one In(1), and one As(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one K(1), one As(1), and one H(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(1), one As(2), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one H(3), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KInAs3H7O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   8.843
_cell_length_c   14.308
_cell_angle_alpha   90.000
_cell_angle_beta   94.504
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.945
_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  0.151  0.006  0.511  1.0
  K  K1  1  0.651  0.994  0.011  1.0
  In  In2  1  0.250  0.229  0.753  1.0
  In  In3  1  0.750  0.771  0.253  1.0
  As  As4  1  0.700  0.346  0.598  1.0
  As  As5  1  0.296  0.642  0.404  1.0
  As  As6  1  0.796  0.358  0.904  1.0
  As  As7  1  0.200  0.654  0.098  1.0
  As  As8  1  0.748  0.958  0.747  1.0
  As  As9  1  0.248  0.042  0.247  1.0
  H  H10  1  0.393  0.338  0.472  1.0
  H  H11  1  0.604  0.676  0.529  1.0
  H  H12  1  0.104  0.324  0.029  1.0
  H  H13  1  0.893  0.662  0.972  1.0
  H  H14  1  0.475  0.770  0.805  1.0
  H  H15  1  0.514  0.232  0.192  1.0
  H  H16  1  0.014  0.768  0.692  1.0
  H  H17  1  0.975  0.230  0.305  1.0
  H  H18  1  0.348  0.587  0.711  1.0
  H  H19  1  0.647  0.416  0.289  1.0
  H  H20  1  0.147  0.584  0.789  1.0
  H  H21  1  0.848  0.413  0.211  1.0
  H  H22  1  0.975  0.498  0.509  1.0
  H  H23  1  0.475  0.502  0.009  1.0
  O  O24  1  0.821  0.518  0.557  1.0
  O  O25  1  0.185  0.475  0.446  1.0
  O  O26  1  0.685  0.525  0.946  1.0
  O  O27  1  0.321  0.482  0.057  1.0
  O  O28  1  0.488  0.053  0.688  1.0
  O  O29  1  0.503  0.949  0.310  1.0
  O  O30  1  0.003  0.051  0.810  1.0
  O  O31  1  0.988  0.947  0.188  1.0
  O  O32  1  0.485  0.400  0.681  1.0
  O  O33  1  0.517  0.599  0.320  1.0
  O  O34  1  0.017  0.401  0.820  1.0
  O  O35  1  0.985  0.600  0.181  1.0
  O  O36  1  0.624  0.839  0.833  1.0
  O  O37  1  0.375  0.160  0.161  1.0
  O  O38  1  0.875  0.840  0.661  1.0
  O  O39  1  0.124  0.161  0.333  1.0
  O  O40  1  0.963  0.226  0.628  1.0
  O  O41  1  0.038  0.768  0.375  1.0
  O  O42  1  0.538  0.232  0.875  1.0
  O  O43  1  0.463  0.774  0.128  1.0
  O  O44  1  0.524  0.258  0.501  1.0
  O  O45  1  0.467  0.746  0.498  1.0
  O  O46  1  0.967  0.254  0.998  1.0
  O  O47  1  0.024  0.742  0.001  1.0
  O  O48  1  0.245  0.656  0.750  1.0
  O  O49  1  0.745  0.344  0.250  1.0
[/CIF]
.