The material structure described by MgP(H6O5)2Tl crystallizes in the orthorhombic Pmn2_1 space group. The structure consists of two 7440-28-0 atoms inside a MgP(H6O5)2 framework. In the MgP(H6O5)2 framework, Mg(1) is bonded in an octahedral geometry to one O(2), one O(7), two equivalent O(1), and two equivalent O(3) atoms. P(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 single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Mg(1), one H(3), and one H(4) atom. In the second O site, O(4) is bonded to one P(1), one H(3), one H(5), and one H(7) atom to form distorted corner-sharing OPH3 trigonal pyramids. In the third O site, O(5) is bonded in a 3-coordinate geometry to one P(1) and two equivalent H(4) atoms. In the fourth O site, O(6) is bonded to one P(1), one H(6), and two equivalent H(2) atoms to form corner-sharing OPH3 tetrahedra. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(5) atoms. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(7) 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(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.143
_cell_length_b   6.909
_cell_length_c   11.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.400
_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  0.383  0.500  0.878  1.0
  Mg  Mg1  1  0.617  0.000  0.378  1.0
  Tl  Tl2  1  0.628  0.000  0.733  1.0
  Tl  Tl3  1  0.372  0.500  0.233  1.0
  P  P4  1  0.014  0.000  0.013  1.0
  P  P5  1  0.986  0.500  0.513  1.0
  H  H6  1  0.168  0.000  0.343  1.0
  H  H7  1  0.604  0.324  0.523  1.0
  H  H8  1  0.800  0.205  0.190  1.0
  H  H9  1  0.827  0.676  0.311  1.0
  H  H10  1  0.200  0.295  0.690  1.0
  H  H11  1  0.604  0.676  0.523  1.0
  H  H12  1  0.007  0.618  0.001  1.0
  H  H13  1  0.800  0.795  0.190  1.0
  H  H14  1  0.200  0.705  0.690  1.0
  H  H15  1  0.173  0.824  0.811  1.0
  H  H16  1  0.272  0.000  0.211  1.0
  H  H17  1  0.644  0.249  0.012  1.0
  H  H18  1  0.396  0.824  0.023  1.0
  H  H19  1  0.173  0.176  0.811  1.0
  H  H20  1  0.356  0.749  0.512  1.0
  H  H21  1  0.993  0.118  0.501  1.0
  H  H22  1  0.728  0.500  0.711  1.0
  H  H23  1  0.007  0.382  0.001  1.0
  H  H24  1  0.396  0.176  0.023  1.0
  H  H25  1  0.832  0.500  0.843  1.0
  H  H26  1  0.827  0.324  0.311  1.0
  H  H27  1  0.993  0.882  0.501  1.0
  H  H28  1  0.644  0.751  0.012  1.0
  H  H29  1  0.356  0.251  0.512  1.0
  O  O30  1  0.511  0.789  0.497  1.0
  O  O31  1  0.694  0.500  0.798  1.0
  O  O32  1  0.732  0.773  0.269  1.0
  O  O33  1  0.892  0.815  0.055  1.0
  O  O34  1  0.268  0.727  0.769  1.0
  O  O35  1  0.108  0.685  0.555  1.0
  O  O36  1  0.966  0.500  0.376  1.0
  O  O37  1  0.246  0.000  0.069  1.0
  O  O38  1  0.268  0.273  0.769  1.0
  O  O39  1  0.489  0.711  0.997  1.0
  O  O40  1  0.732  0.227  0.269  1.0
  O  O41  1  0.511  0.211  0.497  1.0
  O  O42  1  0.306  0.000  0.298  1.0
  O  O43  1  0.754  0.500  0.569  1.0
  O  O44  1  0.892  0.185  0.055  1.0
  O  O45  1  0.066  0.500  0.959  1.0
  O  O46  1  0.034  0.000  0.876  1.0
  O  O47  1  0.108  0.315  0.555  1.0
  O  O48  1  0.934  0.000  0.459  1.0
  O  O49  1  0.489  0.289  0.997  1.0
[/CIF]
.
The material structure described by MgP(H6O5)2Tl crystallizes in the orthorhombic Pmn2_1 space group. The structure consists of two 7440-28-0 atoms inside a MgP(H6O5)2 framework. In the MgP(H6O5)2 framework, Mg(1) is bonded in an octahedral geometry to one O(2), one O(7), two equivalent O(1), and two equivalent O(3) atoms. P(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 single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Mg(1), one H(3), and one H(4) atom. In the second O site, O(4) is bonded to one P(1), one H(3), one H(5), and one H(7) atom to form distorted corner-sharing OPH3 trigonal pyramids. In the third O site, O(5) is bonded in a 3-coordinate geometry to one P(1) and two equivalent H(4) atoms. In the fourth O site, O(6) is bonded to one P(1), one H(6), and two equivalent H(2) atoms to form corner-sharing OPH3 tetrahedra. In the fifth O site, O(7) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(5) atoms. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(2), and one H(7) 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(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.143
_cell_length_b   6.909
_cell_length_c   11.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.400
_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  0.383  0.500  0.878  1.0
  Mg  Mg1  1  0.617  0.000  0.378  1.0
  Tl  Tl2  1  0.628  0.000  0.733  1.0
  Tl  Tl3  1  0.372  0.500  0.233  1.0
  P  P4  1  0.014  0.000  0.013  1.0
  P  P5  1  0.986  0.500  0.513  1.0
  H  H6  1  0.168  0.000  0.343  1.0
  H  H7  1  0.604  0.324  0.523  1.0
  H  H8  1  0.800  0.205  0.190  1.0
  H  H9  1  0.827  0.676  0.311  1.0
  H  H10  1  0.200  0.295  0.690  1.0
  H  H11  1  0.604  0.676  0.523  1.0
  H  H12  1  0.007  0.618  0.001  1.0
  H  H13  1  0.800  0.795  0.190  1.0
  H  H14  1  0.200  0.705  0.690  1.0
  H  H15  1  0.173  0.824  0.811  1.0
  H  H16  1  0.272  0.000  0.211  1.0
  H  H17  1  0.644  0.249  0.012  1.0
  H  H18  1  0.396  0.824  0.023  1.0
  H  H19  1  0.173  0.176  0.811  1.0
  H  H20  1  0.356  0.749  0.512  1.0
  H  H21  1  0.993  0.118  0.501  1.0
  H  H22  1  0.728  0.500  0.711  1.0
  H  H23  1  0.007  0.382  0.001  1.0
  H  H24  1  0.396  0.176  0.023  1.0
  H  H25  1  0.832  0.500  0.843  1.0
  H  H26  1  0.827  0.324  0.311  1.0
  H  H27  1  0.993  0.882  0.501  1.0
  H  H28  1  0.644  0.751  0.012  1.0
  H  H29  1  0.356  0.251  0.512  1.0
  O  O30  1  0.511  0.789  0.497  1.0
  O  O31  1  0.694  0.500  0.798  1.0
  O  O32  1  0.732  0.773  0.269  1.0
  O  O33  1  0.892  0.815  0.055  1.0
  O  O34  1  0.268  0.727  0.769  1.0
  O  O35  1  0.108  0.685  0.555  1.0
  O  O36  1  0.966  0.500  0.376  1.0
  O  O37  1  0.246  0.000  0.069  1.0
  O  O38  1  0.268  0.273  0.769  1.0
  O  O39  1  0.489  0.711  0.997  1.0
  O  O40  1  0.732  0.227  0.269  1.0
  O  O41  1  0.511  0.211  0.497  1.0
  O  O42  1  0.306  0.000  0.298  1.0
  O  O43  1  0.754  0.500  0.569  1.0
  O  O44  1  0.892  0.185  0.055  1.0
  O  O45  1  0.066  0.500  0.959  1.0
  O  O46  1  0.034  0.000  0.876  1.0
  O  O47  1  0.108  0.315  0.555  1.0
  O  O48  1  0.934  0.000  0.459  1.0
  O  O49  1  0.489  0.289  0.997  1.0
[/CIF]
.