The compound described by MgMn2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-53°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-52°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(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 Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one Mn(1), one Mn(2), and one H(1) atom. is represented by the CIF card [CIF]
data_MgMn2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   7.310
_cell_length_c   5.208
_cell_angle_alpha   108.178
_cell_angle_beta   100.692
_cell_angle_gamma   106.950
_symmetry_Int_Tables_number   1
_cell_volume   183.203
_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  0.600  0.159  0.240  1.0
  Mn  Mn1  1  0.001  0.503  0.997  1.0
  Mn  Mn2  1  0.987  0.986  1.000  1.0
  P  P3  1  0.364  0.239  0.673  1.0
  P  P4  1  0.629  0.760  0.342  1.0
  H  H5  1  0.078  0.346  0.351  1.0
  H  H6  1  0.965  0.669  0.646  1.0
  O  O7  1  0.044  0.727  0.857  1.0
  O  O8  1  0.209  0.381  0.691  1.0
  O  O9  1  0.333  0.643  0.295  1.0
  O  O10  1  0.259  0.067  0.361  1.0
  O  O11  1  0.352  0.146  0.899  1.0
  O  O12  1  0.663  0.893  0.160  1.0
  O  O13  1  0.743  0.924  0.654  1.0
  O  O14  1  0.660  0.339  0.679  1.0
  O  O15  1  0.779  0.612  0.292  1.0
  O  O16  1  0.948  0.273  0.154  1.0
[/CIF]
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The compound described by MgMn2P2(HO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-53°. In the second P site, P(2) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-52°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(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 Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one Mn(1), one Mn(2), and one H(1) atom. is represented by the CIF card [CIF]
data_MgMn2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   7.310
_cell_length_c   5.208
_cell_angle_alpha   108.178
_cell_angle_beta   100.692
_cell_angle_gamma   106.950
_symmetry_Int_Tables_number   1
_cell_volume   183.203
_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  0.600  0.159  0.240  1.0
  Mn  Mn1  1  0.001  0.503  0.997  1.0
  Mn  Mn2  1  0.987  0.986  1.000  1.0
  P  P3  1  0.364  0.239  0.673  1.0
  P  P4  1  0.629  0.760  0.342  1.0
  H  H5  1  0.078  0.346  0.351  1.0
  H  H6  1  0.965  0.669  0.646  1.0
  O  O7  1  0.044  0.727  0.857  1.0
  O  O8  1  0.209  0.381  0.691  1.0
  O  O9  1  0.333  0.643  0.295  1.0
  O  O10  1  0.259  0.067  0.361  1.0
  O  O11  1  0.352  0.146  0.899  1.0
  O  O12  1  0.663  0.893  0.160  1.0
  O  O13  1  0.743  0.924  0.654  1.0
  O  O14  1  0.660  0.339  0.679  1.0
  O  O15  1  0.779  0.612  0.292  1.0
  O  O16  1  0.948  0.273  0.154  1.0
[/CIF]
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