The material structure 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 5-coordinate geometry to one O(10), one O(15), one O(19), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(14), one O(2), and one O(6) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(17), one O(18), one O(8), and one O(9) 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 distorted 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 17-47°. 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 44-49°. 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 52-60°. 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 are 51°. 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 44-52°. 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 18-47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(19) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond 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 bent 150 degrees geometry to one P(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-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 3-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 3-coordinate geometry to one K(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mg(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 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 4-coordinate geometry to one K(2), one Mg(1), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Mg(1), one P(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mg(1), 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 bent 120 degrees geometry to one P(3) and one P(6) atom. is represented by the CIF card [CIF]
data_K2MgMn2P6(HO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.442
_cell_length_c   10.146
_cell_angle_alpha   71.039
_cell_angle_beta   71.591
_cell_angle_gamma   71.339
_symmetry_Int_Tables_number   1
_cell_volume   492.499
_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  0.420  0.493  0.286  1.0
  K  K1  1  0.570  0.464  0.719  1.0
  Mg  Mg2  1  0.765  0.864  0.042  1.0
  Mn  Mn3  1  0.011  0.479  0.986  1.0
  Mn  Mn4  1  0.500  0.991  0.507  1.0
  P  P5  1  0.274  0.127  0.205  1.0
  P  P6  1  0.159  0.313  0.688  1.0
  P  P7  1  0.122  0.897  0.776  1.0
  P  P8  1  0.871  0.105  0.232  1.0
  P  P9  1  0.828  0.681  0.316  1.0
  P  P10  1  0.740  0.887  0.784  1.0
  H  H11  1  0.996  0.492  0.517  1.0
  H  H12  1  0.455  0.030  0.008  1.0
  O  O13  1  0.086  0.036  0.261  1.0
  O  O14  1  0.974  0.430  0.628  1.0
  O  O15  1  0.235  0.325  0.102  1.0
  O  O16  1  0.098  0.111  0.790  1.0
  O  O17  1  0.345  0.106  0.333  1.0
  O  O18  1  0.182  0.407  0.792  1.0
  O  O19  1  0.338  0.269  0.570  1.0
  O  O20  1  0.066  0.783  0.933  1.0
  O  O21  1  0.433  0.974  0.115  1.0
  O  O22  1  0.722  0.149  0.363  1.0
  O  O23  1  0.313  0.822  0.683  1.0
  O  O24  1  0.654  0.053  0.864  1.0
  O  O25  1  0.863  0.253  0.090  1.0
  O  O26  1  0.647  0.716  0.434  1.0
  O  O27  1  0.798  0.612  0.198  1.0
  O  O28  1  0.651  0.891  0.671  1.0
  O  O29  1  0.851  0.908  0.206  1.0
  O  O30  1  0.759  0.696  0.906  1.0
  O  O31  1  0.016  0.580  0.362  1.0
  O  O32  1  0.960  0.915  0.697  1.0
[/CIF]
.
The material structure 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 5-coordinate geometry to one O(10), one O(15), one O(19), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(14), one O(2), and one O(6) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(17), one O(18), one O(8), and one O(9) 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 distorted 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 17-47°. 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 44-49°. 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 52-60°. 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 are 51°. 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 44-52°. 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 18-47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(19) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond 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 bent 150 degrees geometry to one P(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a 2-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 3-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 3-coordinate geometry to one K(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mg(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 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 4-coordinate geometry to one K(2), one Mg(1), one P(6), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Mn(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mn(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Mg(1), one P(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mg(1), 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 bent 120 degrees geometry to one P(3) and one P(6) atom. is represented by the CIF card [CIF]
data_K2MgMn2P6(HO10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.492
_cell_length_b   7.442
_cell_length_c   10.146
_cell_angle_alpha   71.039
_cell_angle_beta   71.591
_cell_angle_gamma   71.339
_symmetry_Int_Tables_number   1
_cell_volume   492.499
_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  0.420  0.493  0.286  1.0
  K  K1  1  0.570  0.464  0.719  1.0
  Mg  Mg2  1  0.765  0.864  0.042  1.0
  Mn  Mn3  1  0.011  0.479  0.986  1.0
  Mn  Mn4  1  0.500  0.991  0.507  1.0
  P  P5  1  0.274  0.127  0.205  1.0
  P  P6  1  0.159  0.313  0.688  1.0
  P  P7  1  0.122  0.897  0.776  1.0
  P  P8  1  0.871  0.105  0.232  1.0
  P  P9  1  0.828  0.681  0.316  1.0
  P  P10  1  0.740  0.887  0.784  1.0
  H  H11  1  0.996  0.492  0.517  1.0
  H  H12  1  0.455  0.030  0.008  1.0
  O  O13  1  0.086  0.036  0.261  1.0
  O  O14  1  0.974  0.430  0.628  1.0
  O  O15  1  0.235  0.325  0.102  1.0
  O  O16  1  0.098  0.111  0.790  1.0
  O  O17  1  0.345  0.106  0.333  1.0
  O  O18  1  0.182  0.407  0.792  1.0
  O  O19  1  0.338  0.269  0.570  1.0
  O  O20  1  0.066  0.783  0.933  1.0
  O  O21  1  0.433  0.974  0.115  1.0
  O  O22  1  0.722  0.149  0.363  1.0
  O  O23  1  0.313  0.822  0.683  1.0
  O  O24  1  0.654  0.053  0.864  1.0
  O  O25  1  0.863  0.253  0.090  1.0
  O  O26  1  0.647  0.716  0.434  1.0
  O  O27  1  0.798  0.612  0.198  1.0
  O  O28  1  0.651  0.891  0.671  1.0
  O  O29  1  0.851  0.908  0.206  1.0
  O  O30  1  0.759  0.696  0.906  1.0
  O  O31  1  0.016  0.580  0.362  1.0
  O  O32  1  0.960  0.915  0.697  1.0
[/CIF]
.