The crystal structure described by Li4Mn3Fe2Sn(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(17), one O(18), one O(19), and one O(24) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted FeO6 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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. Sn(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form distorted SnO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), 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,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the second P site, P(2) is bonded to one O(12), one O(17), one O(18), and one O(4) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(22) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. In the fourth P site, P(4) is bonded to one O(24), one O(3), one O(5), and one O(6) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. In the fifth P site, P(5) is bonded to one O(13), one O(21), one O(7), 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Fe(2), and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Fe(2), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Fe(1), one Sn(1), and one P(1) atom to form distorted edge-sharing OLiFeSnP trigonal pyramids. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(3), one Fe(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mn(3), one Fe(2), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Fe(1), one Sn(1), and one P(2) atom to form distorted edge-sharing OLiFeSnP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Mn(3), one Fe(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Sn(1), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Mn(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li4Mn3Fe2Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.665
_cell_length_c   8.703
_cell_angle_alpha   62.884
_cell_angle_beta   63.304
_cell_angle_gamma   63.290
_symmetry_Int_Tables_number   1
_cell_volume   490.176
_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
  Li  Li0  1  0.255  0.646  0.848  1.0
  Li  Li1  1  0.706  0.354  0.152  1.0
  Li  Li2  1  0.361  0.148  0.707  1.0
  Li  Li3  1  0.147  0.703  0.361  1.0
  Mn  Mn4  1  0.849  0.851  0.847  1.0
  Mn  Mn5  1  0.652  0.651  0.648  1.0
  Mn  Mn6  1  0.346  0.343  0.346  1.0
  Fe  Fe7  1  0.984  0.996  0.996  1.0
  Fe  Fe8  1  0.510  0.501  0.498  1.0
  Sn  Sn9  1  0.148  0.148  0.153  1.0
  P  P10  1  0.754  0.056  0.445  1.0
  P  P11  1  0.434  0.750  0.052  1.0
  P  P12  1  0.069  0.451  0.757  1.0
  P  P13  1  0.941  0.559  0.256  1.0
  P  P14  1  0.560  0.253  0.944  1.0
  P  P15  1  0.253  0.944  0.562  1.0
  O  O16  1  0.901  0.500  0.708  1.0
  O  O17  1  0.695  0.902  0.471  1.0
  O  O18  1  0.941  0.739  0.095  1.0
  O  O19  1  0.435  0.695  0.908  1.0
  O  O20  1  0.991  0.396  0.190  1.0
  O  O21  1  0.749  0.568  0.398  1.0
  O  O22  1  0.746  0.102  0.923  1.0
  O  O23  1  0.549  0.409  0.763  1.0
  O  O24  1  0.833  0.016  0.587  1.0
  O  O25  1  0.393  0.750  0.577  1.0
  O  O26  1  0.901  0.091  0.241  1.0
  O  O27  1  0.592  0.818  0.992  1.0
  O  O28  1  0.399  0.179  0.998  1.0
  O  O29  1  0.102  0.925  0.749  1.0
  O  O30  1  0.601  0.247  0.426  1.0
  O  O31  1  0.190  0.992  0.398  1.0
  O  O32  1  0.426  0.598  0.243  1.0
  O  O33  1  0.235  0.902  0.095  1.0
  O  O34  1  0.256  0.426  0.599  1.0
  O  O35  1  0.059  0.588  0.827  1.0
  O  O36  1  0.532  0.319  0.094  1.0
  O  O37  1  0.093  0.247  0.903  1.0
  O  O38  1  0.325  0.091  0.532  1.0
  O  O39  1  0.087  0.525  0.334  1.0
[/CIF]
.
The crystal structure described by Li4Mn3Fe2Sn(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(17), one O(18), one O(19), and one O(24) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted FeO6 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,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Mn(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted FeO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. Sn(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form distorted SnO6 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), 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,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the second P site, P(2) is bonded to one O(12), one O(17), one O(18), and one O(4) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the third P site, P(3) is bonded to one O(1), one O(19), one O(20), and one O(22) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-52°. In the fourth P site, P(4) is bonded to one O(24), one O(3), one O(5), and one O(6) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. In the fifth P site, P(5) is bonded to one O(13), one O(21), one O(7), 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the sixth P site, P(6) is bonded to one O(10), one O(14), one O(16), and one O(23) 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 Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), one Fe(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Fe(2), and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Fe(2), and one P(6) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Fe(1), one Sn(1), and one P(1) atom to form distorted edge-sharing OLiFeSnP trigonal pyramids. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(3), one Fe(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mn(3), one Fe(2), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Fe(1), one Sn(1), and one P(2) atom to form distorted edge-sharing OLiFeSnP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Mn(3), one Fe(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Fe(1), one Sn(1), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Mn(3), and one P(4) atom. is represented by the CIF file [CIF]
data_Li4Mn3Fe2Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.591
_cell_length_b   8.665
_cell_length_c   8.703
_cell_angle_alpha   62.884
_cell_angle_beta   63.304
_cell_angle_gamma   63.290
_symmetry_Int_Tables_number   1
_cell_volume   490.176
_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
  Li  Li0  1  0.255  0.646  0.848  1.0
  Li  Li1  1  0.706  0.354  0.152  1.0
  Li  Li2  1  0.361  0.148  0.707  1.0
  Li  Li3  1  0.147  0.703  0.361  1.0
  Mn  Mn4  1  0.849  0.851  0.847  1.0
  Mn  Mn5  1  0.652  0.651  0.648  1.0
  Mn  Mn6  1  0.346  0.343  0.346  1.0
  Fe  Fe7  1  0.984  0.996  0.996  1.0
  Fe  Fe8  1  0.510  0.501  0.498  1.0
  Sn  Sn9  1  0.148  0.148  0.153  1.0
  P  P10  1  0.754  0.056  0.445  1.0
  P  P11  1  0.434  0.750  0.052  1.0
  P  P12  1  0.069  0.451  0.757  1.0
  P  P13  1  0.941  0.559  0.256  1.0
  P  P14  1  0.560  0.253  0.944  1.0
  P  P15  1  0.253  0.944  0.562  1.0
  O  O16  1  0.901  0.500  0.708  1.0
  O  O17  1  0.695  0.902  0.471  1.0
  O  O18  1  0.941  0.739  0.095  1.0
  O  O19  1  0.435  0.695  0.908  1.0
  O  O20  1  0.991  0.396  0.190  1.0
  O  O21  1  0.749  0.568  0.398  1.0
  O  O22  1  0.746  0.102  0.923  1.0
  O  O23  1  0.549  0.409  0.763  1.0
  O  O24  1  0.833  0.016  0.587  1.0
  O  O25  1  0.393  0.750  0.577  1.0
  O  O26  1  0.901  0.091  0.241  1.0
  O  O27  1  0.592  0.818  0.992  1.0
  O  O28  1  0.399  0.179  0.998  1.0
  O  O29  1  0.102  0.925  0.749  1.0
  O  O30  1  0.601  0.247  0.426  1.0
  O  O31  1  0.190  0.992  0.398  1.0
  O  O32  1  0.426  0.598  0.243  1.0
  O  O33  1  0.235  0.902  0.095  1.0
  O  O34  1  0.256  0.426  0.599  1.0
  O  O35  1  0.059  0.588  0.827  1.0
  O  O36  1  0.532  0.319  0.094  1.0
  O  O37  1  0.093  0.247  0.903  1.0
  O  O38  1  0.325  0.091  0.532  1.0
  O  O39  1  0.087  0.525  0.334  1.0
[/CIF]
.