The compound described by K2MgMn2P6(HO10)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(15), one O(19), one O(5), one O(7), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(18), one O(3), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(2), and one O(20) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(18), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-57°. In the third P site, P(3) is bonded to one O(11), one O(20), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(17), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. In the sixth P site, P(6) is bonded to one O(12), one O(16), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-62°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(19) and one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one P(1), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(2), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one K(2), one Mn(1), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(5), and one H(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(3), and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgMn2P6(HO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.447
_cell_length_b   7.326
_cell_length_c   9.465
_cell_angle_alpha   74.768
_cell_angle_beta   76.013
_cell_angle_gamma   75.606
_symmetry_Int_Tables_number   1
_cell_volume   473.891
_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
  K  K0  1  0.424  0.546  0.279  1.0
  K  K1  1  0.501  0.452  0.806  1.0
  Mg  Mg2  1  0.891  0.109  0.532  1.0
  Mn  Mn3  1  0.979  0.509  0.986  1.0
  Mn  Mn4  1  0.486  0.011  0.499  1.0
  P  P5  1  0.281  0.144  0.184  1.0
  P  P6  1  0.144  0.293  0.681  1.0
  P  P7  1  0.152  0.881  0.789  1.0
  P  P8  1  0.874  0.117  0.224  1.0
  P  P9  1  0.818  0.711  0.306  1.0
  P  P10  1  0.731  0.891  0.804  1.0
  H  H11  1  0.983  0.515  0.470  1.0
  H  H12  1  0.497  0.986  0.028  1.0
  O  O13  1  0.075  0.084  0.278  1.0
  O  O14  1  0.989  0.302  0.590  1.0
  O  O15  1  0.242  0.326  0.067  1.0
  O  O16  1  0.142  0.092  0.812  1.0
  O  O17  1  0.368  0.162  0.307  1.0
  O  O18  1  0.097  0.450  0.767  1.0
  O  O19  1  0.339  0.275  0.582  1.0
  O  O20  1  0.143  0.738  0.936  1.0
  O  O21  1  0.382  0.960  0.119  1.0
  O  O22  1  0.741  0.158  0.369  1.0
  O  O23  1  0.311  0.834  0.662  1.0
  O  O24  1  0.648  0.033  0.906  1.0
  O  O25  1  0.854  0.259  0.082  1.0
  O  O26  1  0.632  0.751  0.411  1.0
  O  O27  1  0.824  0.585  0.202  1.0
  O  O28  1  0.673  0.971  0.650  1.0
  O  O29  1  0.869  0.912  0.200  1.0
  O  O30  1  0.731  0.681  0.876  1.0
  O  O31  1  0.992  0.638  0.391  1.0
  O  O32  1  0.960  0.912  0.726  1.0
[/CIF]
.
The compound described by K2MgMn2P6(HO10)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(15), one O(19), one O(5), one O(7), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(18), one O(3), one O(6), one O(7), and one O(8) atom. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(2), and one O(20) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(18), one O(3), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-57°. In the third P site, P(3) is bonded to one O(11), one O(20), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(17) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(17), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. In the sixth P site, P(6) is bonded to one O(12), one O(16), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-62°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(19) and one O(2) atom. In the second H site, H(2) is bonded in a linear geometry to one O(12) and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one P(1), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(2), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(2), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one K(2), one Mn(1), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(5), and one H(1) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mg(1), one P(3), and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2MgMn2P6(HO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.447
_cell_length_b   7.326
_cell_length_c   9.465
_cell_angle_alpha   74.768
_cell_angle_beta   76.013
_cell_angle_gamma   75.606
_symmetry_Int_Tables_number   1
_cell_volume   473.891
_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
  K  K0  1  0.424  0.546  0.279  1.0
  K  K1  1  0.501  0.452  0.806  1.0
  Mg  Mg2  1  0.891  0.109  0.532  1.0
  Mn  Mn3  1  0.979  0.509  0.986  1.0
  Mn  Mn4  1  0.486  0.011  0.499  1.0
  P  P5  1  0.281  0.144  0.184  1.0
  P  P6  1  0.144  0.293  0.681  1.0
  P  P7  1  0.152  0.881  0.789  1.0
  P  P8  1  0.874  0.117  0.224  1.0
  P  P9  1  0.818  0.711  0.306  1.0
  P  P10  1  0.731  0.891  0.804  1.0
  H  H11  1  0.983  0.515  0.470  1.0
  H  H12  1  0.497  0.986  0.028  1.0
  O  O13  1  0.075  0.084  0.278  1.0
  O  O14  1  0.989  0.302  0.590  1.0
  O  O15  1  0.242  0.326  0.067  1.0
  O  O16  1  0.142  0.092  0.812  1.0
  O  O17  1  0.368  0.162  0.307  1.0
  O  O18  1  0.097  0.450  0.767  1.0
  O  O19  1  0.339  0.275  0.582  1.0
  O  O20  1  0.143  0.738  0.936  1.0
  O  O21  1  0.382  0.960  0.119  1.0
  O  O22  1  0.741  0.158  0.369  1.0
  O  O23  1  0.311  0.834  0.662  1.0
  O  O24  1  0.648  0.033  0.906  1.0
  O  O25  1  0.854  0.259  0.082  1.0
  O  O26  1  0.632  0.751  0.411  1.0
  O  O27  1  0.824  0.585  0.202  1.0
  O  O28  1  0.673  0.971  0.650  1.0
  O  O29  1  0.869  0.912  0.200  1.0
  O  O30  1  0.731  0.681  0.876  1.0
  O  O31  1  0.992  0.638  0.391  1.0
  O  O32  1  0.960  0.912  0.726  1.0
[/CIF]
.