The crystal structure described by MgAs(H6O5)2Tl crystallizes in the orthorhombic Pmn2_1 space group. The structure consists of two 7440-28-0 atoms inside a MgAs(H6O5)2 framework. In the MgAs(H6O5)2 framework, Mg(1) is bonded in an octahedral geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(2) atoms. As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) 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(4) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(6), and one H(7) atom. In the second O site, O(4) is bonded to one As(1), one H(2), one H(4), and one H(5) atom to form distorted corner-sharing OAsH3 tetrahedra. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one As(1) and two equivalent H(3) atoms. In the fourth O site, O(6) is bonded to one As(1), one H(6), and two equivalent H(1) atoms to form corner-sharing OAsH3 tetrahedra. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(2) atoms. In the sixth O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one H(3), and one H(4) atom. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlAs(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   7.060
_cell_length_c   11.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.756
_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
  Mg  Mg0  1  0.380  0.500  0.880  1.0
  Mg  Mg1  1  0.620  0.000  0.380  1.0
  Tl  Tl2  1  0.369  0.500  0.223  1.0
  Tl  Tl3  1  0.630  0.000  0.723  1.0
  As  As4  1  0.994  0.500  0.509  1.0
  As  As5  1  0.006  0.000  0.009  1.0
  H  H6  1  0.611  0.680  0.526  1.0
  H  H7  1  1.000  0.114  0.499  1.0
  H  H8  1  0.183  0.178  0.807  1.0
  H  H9  1  0.389  0.180  0.026  1.0
  H  H10  1  0.216  0.296  0.690  1.0
  H  H11  1  0.216  0.704  0.690  1.0
  H  H12  1  0.784  0.796  0.190  1.0
  H  H13  1  0.630  0.745  0.013  1.0
  H  H14  1  0.279  0.000  0.218  1.0
  H  H15  1  0.817  0.322  0.307  1.0
  H  H16  1  0.784  0.204  0.190  1.0
  H  H17  1  0.000  0.614  0.999  1.0
  H  H18  1  0.611  0.320  0.526  1.0
  H  H19  1  0.183  0.822  0.807  1.0
  H  H20  1  0.175  0.000  0.347  1.0
  H  H21  1  1.000  0.886  0.499  1.0
  H  H22  1  0.817  0.678  0.307  1.0
  H  H23  1  0.825  0.500  0.847  1.0
  H  H24  1  0.370  0.245  0.513  1.0
  H  H25  1  0.630  0.255  0.013  1.0
  H  H26  1  0.389  0.820  0.026  1.0
  H  H27  1  0.721  0.500  0.718  1.0
  H  H28  1  0.000  0.386  0.999  1.0
  H  H29  1  0.370  0.755  0.513  1.0
  O  O30  1  0.278  0.277  0.770  1.0
  O  O31  1  0.524  0.206  0.501  1.0
  O  O32  1  0.312  0.000  0.304  1.0
  O  O33  1  0.874  0.201  0.054  1.0
  O  O34  1  0.874  0.799  0.054  1.0
  O  O35  1  0.688  0.500  0.804  1.0
  O  O36  1  0.036  0.000  0.859  1.0
  O  O37  1  0.256  0.000  0.074  1.0
  O  O38  1  0.278  0.723  0.770  1.0
  O  O39  1  0.937  0.000  0.458  1.0
  O  O40  1  0.524  0.794  0.501  1.0
  O  O41  1  0.063  0.500  0.958  1.0
  O  O42  1  0.722  0.777  0.270  1.0
  O  O43  1  0.126  0.701  0.554  1.0
  O  O44  1  0.722  0.223  0.270  1.0
  O  O45  1  0.126  0.299  0.554  1.0
  O  O46  1  0.476  0.294  0.001  1.0
  O  O47  1  0.964  0.500  0.359  1.0
  O  O48  1  0.744  0.500  0.574  1.0
  O  O49  1  0.476  0.706  0.001  1.0
[/CIF]
.
The crystal structure described by MgAs(H6O5)2Tl crystallizes in the orthorhombic Pmn2_1 space group. The structure consists of two 7440-28-0 atoms inside a MgAs(H6O5)2 framework. In the MgAs(H6O5)2 framework, Mg(1) is bonded in an octahedral geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(2) atoms. As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) 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(4) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(6), and one H(7) atom. In the second O site, O(4) is bonded to one As(1), one H(2), one H(4), and one H(5) atom to form distorted corner-sharing OAsH3 tetrahedra. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one As(1) and two equivalent H(3) atoms. In the fourth O site, O(6) is bonded to one As(1), one H(6), and two equivalent H(1) atoms to form corner-sharing OAsH3 tetrahedra. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(2) atoms. In the sixth O site, O(1) is bonded in a distorted water-like geometry to one Mg(1), one H(3), and one H(4) atom. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlAs(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   7.060
_cell_length_c   11.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.756
_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
  Mg  Mg0  1  0.380  0.500  0.880  1.0
  Mg  Mg1  1  0.620  0.000  0.380  1.0
  Tl  Tl2  1  0.369  0.500  0.223  1.0
  Tl  Tl3  1  0.630  0.000  0.723  1.0
  As  As4  1  0.994  0.500  0.509  1.0
  As  As5  1  0.006  0.000  0.009  1.0
  H  H6  1  0.611  0.680  0.526  1.0
  H  H7  1  1.000  0.114  0.499  1.0
  H  H8  1  0.183  0.178  0.807  1.0
  H  H9  1  0.389  0.180  0.026  1.0
  H  H10  1  0.216  0.296  0.690  1.0
  H  H11  1  0.216  0.704  0.690  1.0
  H  H12  1  0.784  0.796  0.190  1.0
  H  H13  1  0.630  0.745  0.013  1.0
  H  H14  1  0.279  0.000  0.218  1.0
  H  H15  1  0.817  0.322  0.307  1.0
  H  H16  1  0.784  0.204  0.190  1.0
  H  H17  1  0.000  0.614  0.999  1.0
  H  H18  1  0.611  0.320  0.526  1.0
  H  H19  1  0.183  0.822  0.807  1.0
  H  H20  1  0.175  0.000  0.347  1.0
  H  H21  1  1.000  0.886  0.499  1.0
  H  H22  1  0.817  0.678  0.307  1.0
  H  H23  1  0.825  0.500  0.847  1.0
  H  H24  1  0.370  0.245  0.513  1.0
  H  H25  1  0.630  0.255  0.013  1.0
  H  H26  1  0.389  0.820  0.026  1.0
  H  H27  1  0.721  0.500  0.718  1.0
  H  H28  1  0.000  0.386  0.999  1.0
  H  H29  1  0.370  0.755  0.513  1.0
  O  O30  1  0.278  0.277  0.770  1.0
  O  O31  1  0.524  0.206  0.501  1.0
  O  O32  1  0.312  0.000  0.304  1.0
  O  O33  1  0.874  0.201  0.054  1.0
  O  O34  1  0.874  0.799  0.054  1.0
  O  O35  1  0.688  0.500  0.804  1.0
  O  O36  1  0.036  0.000  0.859  1.0
  O  O37  1  0.256  0.000  0.074  1.0
  O  O38  1  0.278  0.723  0.770  1.0
  O  O39  1  0.937  0.000  0.458  1.0
  O  O40  1  0.524  0.794  0.501  1.0
  O  O41  1  0.063  0.500  0.958  1.0
  O  O42  1  0.722  0.777  0.270  1.0
  O  O43  1  0.126  0.701  0.554  1.0
  O  O44  1  0.722  0.223  0.270  1.0
  O  O45  1  0.126  0.299  0.554  1.0
  O  O46  1  0.476  0.294  0.001  1.0
  O  O47  1  0.964  0.500  0.359  1.0
  O  O48  1  0.744  0.500  0.574  1.0
  O  O49  1  0.476  0.706  0.001  1.0
[/CIF]
.