The material described by KMgAs(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent H(2), one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded in an octahedral geometry to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one K(1) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to one As(1) and two equivalent H(5) atoms. In the second O site, O(3) is bonded to one As(1), one H(1), one H(4), and one H(6) atom to form distorted corner-sharing OAsH3 tetrahedra. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Mg(1), one H(3), and one H(4) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Mg(1), one H(5), and one H(6) atom. In the fifth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent H(2) atoms. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Mg(1), and two equivalent H(1) atoms. In the seventh O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one As(1), and two equivalent H(3) atoms. is represented by the CIF card [CIF]
data_KMgAs(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   7.223
_cell_length_c   11.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.243
_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  0.385  0.500  0.206  1.0
  K  K1  1  0.615  0.000  0.706  1.0
  Mg  Mg2  1  0.629  0.000  0.379  1.0
  Mg  Mg3  1  0.371  0.500  0.879  1.0
  As  As4  1  0.993  0.500  0.492  1.0
  As  As5  1  0.007  0.000  0.992  1.0
  H  H6  1  0.989  0.112  0.503  1.0
  H  H7  1  0.989  0.888  0.503  1.0
  H  H8  1  0.011  0.388  0.003  1.0
  H  H9  1  0.011  0.612  0.003  1.0
  H  H10  1  0.292  0.899  0.235  1.0
  H  H11  1  0.292  0.101  0.235  1.0
  H  H12  1  0.708  0.601  0.735  1.0
  H  H13  1  0.708  0.399  0.735  1.0
  H  H14  1  0.828  0.318  0.296  1.0
  H  H15  1  0.828  0.682  0.296  1.0
  H  H16  1  0.172  0.182  0.796  1.0
  H  H17  1  0.172  0.818  0.796  1.0
  H  H18  1  0.794  0.196  0.181  1.0
  H  H19  1  0.794  0.804  0.181  1.0
  H  H20  1  0.206  0.304  0.681  1.0
  H  H21  1  0.206  0.696  0.681  1.0
  H  H22  1  0.597  0.322  0.507  1.0
  H  H23  1  0.597  0.678  0.507  1.0
  H  H24  1  0.403  0.178  0.007  1.0
  H  H25  1  0.403  0.822  0.007  1.0
  H  H26  1  0.353  0.247  0.501  1.0
  H  H27  1  0.353  0.753  0.501  1.0
  H  H28  1  0.647  0.253  0.001  1.0
  H  H29  1  0.647  0.747  0.001  1.0
  O  O30  1  0.992  0.500  0.339  1.0
  O  O31  1  0.008  0.000  0.839  1.0
  O  O32  1  0.735  0.500  0.548  1.0
  O  O33  1  0.265  0.000  0.048  1.0
  O  O34  1  0.120  0.304  0.544  1.0
  O  O35  1  0.120  0.696  0.544  1.0
  O  O36  1  0.880  0.196  0.044  1.0
  O  O37  1  0.880  0.804  0.044  1.0
  O  O38  1  0.731  0.219  0.263  1.0
  O  O39  1  0.731  0.781  0.263  1.0
  O  O40  1  0.269  0.281  0.763  1.0
  O  O41  1  0.269  0.719  0.763  1.0
  O  O42  1  0.508  0.209  0.488  1.0
  O  O43  1  0.508  0.791  0.488  1.0
  O  O44  1  0.492  0.291  0.988  1.0
  O  O45  1  0.492  0.709  0.988  1.0
  O  O46  1  0.323  0.000  0.290  1.0
  O  O47  1  0.677  0.500  0.790  1.0
  O  O48  1  0.896  0.000  0.491  1.0
  O  O49  1  0.104  0.500  0.991  1.0
[/CIF]
.
The material described by KMgAs(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent H(2), one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded in an octahedral geometry to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one K(1) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(2) and one O(5) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to one As(1) and two equivalent H(5) atoms. In the second O site, O(3) is bonded to one As(1), one H(1), one H(4), and one H(6) atom to form distorted corner-sharing OAsH3 tetrahedra. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Mg(1), one H(3), and one H(4) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Mg(1), one H(5), and one H(6) atom. In the fifth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent H(2) atoms. In the sixth O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Mg(1), and two equivalent H(1) atoms. In the seventh O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one As(1), and two equivalent H(3) atoms. is represented by the CIF card [CIF]
data_KMgAs(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   7.223
_cell_length_c   11.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.243
_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  0.385  0.500  0.206  1.0
  K  K1  1  0.615  0.000  0.706  1.0
  Mg  Mg2  1  0.629  0.000  0.379  1.0
  Mg  Mg3  1  0.371  0.500  0.879  1.0
  As  As4  1  0.993  0.500  0.492  1.0
  As  As5  1  0.007  0.000  0.992  1.0
  H  H6  1  0.989  0.112  0.503  1.0
  H  H7  1  0.989  0.888  0.503  1.0
  H  H8  1  0.011  0.388  0.003  1.0
  H  H9  1  0.011  0.612  0.003  1.0
  H  H10  1  0.292  0.899  0.235  1.0
  H  H11  1  0.292  0.101  0.235  1.0
  H  H12  1  0.708  0.601  0.735  1.0
  H  H13  1  0.708  0.399  0.735  1.0
  H  H14  1  0.828  0.318  0.296  1.0
  H  H15  1  0.828  0.682  0.296  1.0
  H  H16  1  0.172  0.182  0.796  1.0
  H  H17  1  0.172  0.818  0.796  1.0
  H  H18  1  0.794  0.196  0.181  1.0
  H  H19  1  0.794  0.804  0.181  1.0
  H  H20  1  0.206  0.304  0.681  1.0
  H  H21  1  0.206  0.696  0.681  1.0
  H  H22  1  0.597  0.322  0.507  1.0
  H  H23  1  0.597  0.678  0.507  1.0
  H  H24  1  0.403  0.178  0.007  1.0
  H  H25  1  0.403  0.822  0.007  1.0
  H  H26  1  0.353  0.247  0.501  1.0
  H  H27  1  0.353  0.753  0.501  1.0
  H  H28  1  0.647  0.253  0.001  1.0
  H  H29  1  0.647  0.747  0.001  1.0
  O  O30  1  0.992  0.500  0.339  1.0
  O  O31  1  0.008  0.000  0.839  1.0
  O  O32  1  0.735  0.500  0.548  1.0
  O  O33  1  0.265  0.000  0.048  1.0
  O  O34  1  0.120  0.304  0.544  1.0
  O  O35  1  0.120  0.696  0.544  1.0
  O  O36  1  0.880  0.196  0.044  1.0
  O  O37  1  0.880  0.804  0.044  1.0
  O  O38  1  0.731  0.219  0.263  1.0
  O  O39  1  0.731  0.781  0.263  1.0
  O  O40  1  0.269  0.281  0.763  1.0
  O  O41  1  0.269  0.719  0.763  1.0
  O  O42  1  0.508  0.209  0.488  1.0
  O  O43  1  0.508  0.791  0.488  1.0
  O  O44  1  0.492  0.291  0.988  1.0
  O  O45  1  0.492  0.709  0.988  1.0
  O  O46  1  0.323  0.000  0.290  1.0
  O  O47  1  0.677  0.500  0.790  1.0
  O  O48  1  0.896  0.000  0.491  1.0
  O  O49  1  0.104  0.500  0.991  1.0
[/CIF]
.