The crystal structure described by Cs2MgP4(HO2)8 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) atoms. Mg(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(4) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(5) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one H(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mg(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.081
_cell_length_b   7.529
_cell_length_c   8.033
_cell_angle_alpha   96.492
_cell_angle_beta   111.073
_cell_angle_gamma   87.691
_symmetry_Int_Tables_number   1
_cell_volume   397.069
_cell_formula_units_Z   1
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  0.910  0.299  0.279  1.0
  Cs  Cs1  1  0.090  0.701  0.721  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.626  0.749  0.237  1.0
  P  P4  1  0.221  0.805  0.249  1.0
  P  P5  1  0.779  0.195  0.751  1.0
  P  P6  1  0.374  0.251  0.763  1.0
  H  H7  1  0.893  0.751  0.089  1.0
  H  H8  1  0.389  0.302  0.156  1.0
  H  H9  1  0.370  0.177  0.298  1.0
  H  H10  1  0.728  0.973  0.452  1.0
  H  H11  1  0.272  0.027  0.548  1.0
  H  H12  1  0.630  0.823  0.702  1.0
  H  H13  1  0.611  0.698  0.844  1.0
  H  H14  1  0.107  0.249  0.911  1.0
  O  O15  1  0.022  0.802  0.078  1.0
  O  O16  1  0.695  0.684  0.082  1.0
  O  O17  1  0.384  0.782  0.146  1.0
  O  O18  1  0.425  0.291  0.286  1.0
  O  O19  1  0.726  0.937  0.323  1.0
  O  O20  1  0.257  0.990  0.354  1.0
  O  O21  1  0.237  0.648  0.355  1.0
  O  O22  1  0.665  0.626  0.382  1.0
  O  O23  1  0.335  0.374  0.618  1.0
  O  O24  1  0.763  0.352  0.645  1.0
  O  O25  1  0.743  0.010  0.646  1.0
  O  O26  1  0.274  0.063  0.677  1.0
  O  O27  1  0.575  0.709  0.714  1.0
  O  O28  1  0.616  0.218  0.854  1.0
  O  O29  1  0.305  0.316  0.918  1.0
  O  O30  1  0.978  0.198  0.922  1.0
[/CIF]
.
The crystal structure described by Cs2MgP4(HO2)8 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 11-coordinate geometry to one H(3), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) atoms. Mg(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one O(4) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(5) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), one H(2), and one H(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(1), and one H(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mg(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.081
_cell_length_b   7.529
_cell_length_c   8.033
_cell_angle_alpha   96.492
_cell_angle_beta   111.073
_cell_angle_gamma   87.691
_symmetry_Int_Tables_number   1
_cell_volume   397.069
_cell_formula_units_Z   1
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  0.910  0.299  0.279  1.0
  Cs  Cs1  1  0.090  0.701  0.721  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.626  0.749  0.237  1.0
  P  P4  1  0.221  0.805  0.249  1.0
  P  P5  1  0.779  0.195  0.751  1.0
  P  P6  1  0.374  0.251  0.763  1.0
  H  H7  1  0.893  0.751  0.089  1.0
  H  H8  1  0.389  0.302  0.156  1.0
  H  H9  1  0.370  0.177  0.298  1.0
  H  H10  1  0.728  0.973  0.452  1.0
  H  H11  1  0.272  0.027  0.548  1.0
  H  H12  1  0.630  0.823  0.702  1.0
  H  H13  1  0.611  0.698  0.844  1.0
  H  H14  1  0.107  0.249  0.911  1.0
  O  O15  1  0.022  0.802  0.078  1.0
  O  O16  1  0.695  0.684  0.082  1.0
  O  O17  1  0.384  0.782  0.146  1.0
  O  O18  1  0.425  0.291  0.286  1.0
  O  O19  1  0.726  0.937  0.323  1.0
  O  O20  1  0.257  0.990  0.354  1.0
  O  O21  1  0.237  0.648  0.355  1.0
  O  O22  1  0.665  0.626  0.382  1.0
  O  O23  1  0.335  0.374  0.618  1.0
  O  O24  1  0.763  0.352  0.645  1.0
  O  O25  1  0.743  0.010  0.646  1.0
  O  O26  1  0.274  0.063  0.677  1.0
  O  O27  1  0.575  0.709  0.714  1.0
  O  O28  1  0.616  0.218  0.854  1.0
  O  O29  1  0.305  0.316  0.918  1.0
  O  O30  1  0.978  0.198  0.922  1.0
[/CIF]
.