The structure described by MgSb2P2(HO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Sb(1), one Sb(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(2), and one P(1) atom. is represented by the CIF file [CIF]
data_MgSb2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   8.114
_cell_length_c   5.339
_cell_angle_alpha   111.990
_cell_angle_beta   91.094
_cell_angle_gamma   111.551
_symmetry_Int_Tables_number   1
_cell_volume   217.766
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Sb  Sb1  1  0.000  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.371  0.244  0.638  1.0
  P  P4  1  0.629  0.756  0.362  1.0
  H  H5  1  0.913  0.298  0.343  1.0
  H  H6  1  0.087  0.702  0.657  1.0
  O  O7  1  0.150  0.759  0.856  1.0
  O  O8  1  0.165  0.321  0.661  1.0
  O  O9  1  0.362  0.601  0.281  1.0
  O  O10  1  0.330  0.099  0.330  1.0
  O  O11  1  0.337  0.125  0.819  1.0
  O  O12  1  0.663  0.875  0.181  1.0
  O  O13  1  0.670  0.901  0.670  1.0
  O  O14  1  0.638  0.399  0.719  1.0
  O  O15  1  0.835  0.679  0.339  1.0
  O  O16  1  0.850  0.241  0.144  1.0
[/CIF]
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The structure described by MgSb2P2(HO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Sb(1), one Sb(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(2), and one P(1) atom. is represented by the CIF file [CIF]
data_MgSb2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   8.114
_cell_length_c   5.339
_cell_angle_alpha   111.990
_cell_angle_beta   91.094
_cell_angle_gamma   111.551
_symmetry_Int_Tables_number   1
_cell_volume   217.766
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Sb  Sb1  1  0.000  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.371  0.244  0.638  1.0
  P  P4  1  0.629  0.756  0.362  1.0
  H  H5  1  0.913  0.298  0.343  1.0
  H  H6  1  0.087  0.702  0.657  1.0
  O  O7  1  0.150  0.759  0.856  1.0
  O  O8  1  0.165  0.321  0.661  1.0
  O  O9  1  0.362  0.601  0.281  1.0
  O  O10  1  0.330  0.099  0.330  1.0
  O  O11  1  0.337  0.125  0.819  1.0
  O  O12  1  0.663  0.875  0.181  1.0
  O  O13  1  0.670  0.901  0.670  1.0
  O  O14  1  0.638  0.399  0.719  1.0
  O  O15  1  0.835  0.679  0.339  1.0
  O  O16  1  0.850  0.241  0.144  1.0
[/CIF]
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