The material described by NaLi5Fe2P2(CO7)2 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-88°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 64-87°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(14), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-63°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(3), and one C(2) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(11)NaLiFeP tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(14)Li2FeP trigonal pyramids,  an edgeedge with one O(13)Li2FeP tetrahedra, and  an edgeedge with one O(5)NaLi2FeC trigonal bipyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Li(2), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Li(2), one Li(3), one Fe(1), and one C(1) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Li(3), one Fe(2), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(1), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with three equivalent O(14)Li2FeP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(13)Li2FeP tetrahedra,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(8)Li2FeP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   8.547
_cell_length_c   10.076
_cell_angle_alpha   85.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.045
_cell_formula_units_Z   2
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
  Na  Na0  1  0.001  0.255  0.627  1.0
  Na  Na1  1  0.501  0.745  0.373  1.0
  Li  Li2  1  0.263  0.090  0.877  1.0
  Li  Li3  1  0.242  0.088  0.373  1.0
  Li  Li4  1  0.477  0.276  0.621  1.0
  Li  Li5  1  0.020  0.273  0.125  1.0
  Li  Li6  1  0.478  0.273  0.124  1.0
  Li  Li7  1  0.520  0.727  0.875  1.0
  Li  Li8  1  0.978  0.727  0.876  1.0
  Li  Li9  1  0.977  0.724  0.379  1.0
  Li  Li10  1  0.742  0.912  0.627  1.0
  Li  Li11  1  0.763  0.910  0.123  1.0
  Fe  Fe12  1  0.752  0.337  0.896  1.0
  Fe  Fe13  1  0.743  0.343  0.391  1.0
  Fe  Fe14  1  0.243  0.657  0.609  1.0
  Fe  Fe15  1  0.252  0.663  0.104  1.0
  P  P16  1  0.257  0.411  0.858  1.0
  P  P17  1  0.243  0.409  0.354  1.0
  P  P18  1  0.743  0.591  0.646  1.0
  P  P19  1  0.757  0.589  0.142  1.0
  C  C20  1  0.748  0.034  0.859  1.0
  C  C21  1  0.758  0.041  0.353  1.0
  C  C22  1  0.258  0.959  0.647  1.0
  C  C23  1  0.248  0.966  0.141  1.0
  O  O24  1  0.282  0.101  0.679  1.0
  O  O25  1  0.245  0.112  0.169  1.0
  O  O26  1  0.754  0.075  0.980  1.0
  O  O27  1  0.755  0.076  0.477  1.0
  O  O28  1  0.744  0.143  0.761  1.0
  O  O29  1  0.736  0.153  0.259  1.0
  O  O30  1  0.066  0.310  0.902  1.0
  O  O31  1  0.439  0.309  0.916  1.0
  O  O32  1  0.057  0.301  0.394  1.0
  O  O33  1  0.430  0.312  0.410  1.0
  O  O34  1  0.271  0.428  0.703  1.0
  O  O35  1  0.729  0.429  0.588  1.0
  O  O36  1  0.256  0.430  0.199  1.0
  O  O37  1  0.754  0.423  0.091  1.0
  O  O38  1  0.254  0.577  0.909  1.0
  O  O39  1  0.756  0.570  0.801  1.0
  O  O40  1  0.229  0.571  0.412  1.0
  O  O41  1  0.771  0.572  0.297  1.0
  O  O42  1  0.557  0.699  0.606  1.0
  O  O43  1  0.930  0.688  0.590  1.0
  O  O44  1  0.566  0.690  0.098  1.0
  O  O45  1  0.939  0.691  0.084  1.0
  O  O46  1  0.236  0.847  0.741  1.0
  O  O47  1  0.244  0.857  0.239  1.0
  O  O48  1  0.255  0.924  0.523  1.0
  O  O49  1  0.254  0.925  0.020  1.0
  O  O50  1  0.745  0.888  0.831  1.0
  O  O51  1  0.782  0.899  0.321  1.0
[/CIF]
.
The material described by NaLi5Fe2P2(CO7)2 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(12), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-88°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 64-87°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(14), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-63°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(3), and one C(2) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(11)NaLiFeP tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(14)Li2FeP trigonal pyramids,  an edgeedge with one O(13)Li2FeP tetrahedra, and  an edgeedge with one O(5)NaLi2FeC trigonal bipyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Li(2), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Li(2), one Li(3), one Fe(1), and one C(1) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Li(3), one Fe(2), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share corners with two equivalent O(5)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(1), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with three equivalent O(14)Li2FeP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(13)Li2FeP tetrahedra,  a cornercorner with one O(5)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(8)Li2FeP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.531
_cell_length_b   8.547
_cell_length_c   10.076
_cell_angle_alpha   85.909
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.045
_cell_formula_units_Z   2
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
  Na  Na0  1  0.001  0.255  0.627  1.0
  Na  Na1  1  0.501  0.745  0.373  1.0
  Li  Li2  1  0.263  0.090  0.877  1.0
  Li  Li3  1  0.242  0.088  0.373  1.0
  Li  Li4  1  0.477  0.276  0.621  1.0
  Li  Li5  1  0.020  0.273  0.125  1.0
  Li  Li6  1  0.478  0.273  0.124  1.0
  Li  Li7  1  0.520  0.727  0.875  1.0
  Li  Li8  1  0.978  0.727  0.876  1.0
  Li  Li9  1  0.977  0.724  0.379  1.0
  Li  Li10  1  0.742  0.912  0.627  1.0
  Li  Li11  1  0.763  0.910  0.123  1.0
  Fe  Fe12  1  0.752  0.337  0.896  1.0
  Fe  Fe13  1  0.743  0.343  0.391  1.0
  Fe  Fe14  1  0.243  0.657  0.609  1.0
  Fe  Fe15  1  0.252  0.663  0.104  1.0
  P  P16  1  0.257  0.411  0.858  1.0
  P  P17  1  0.243  0.409  0.354  1.0
  P  P18  1  0.743  0.591  0.646  1.0
  P  P19  1  0.757  0.589  0.142  1.0
  C  C20  1  0.748  0.034  0.859  1.0
  C  C21  1  0.758  0.041  0.353  1.0
  C  C22  1  0.258  0.959  0.647  1.0
  C  C23  1  0.248  0.966  0.141  1.0
  O  O24  1  0.282  0.101  0.679  1.0
  O  O25  1  0.245  0.112  0.169  1.0
  O  O26  1  0.754  0.075  0.980  1.0
  O  O27  1  0.755  0.076  0.477  1.0
  O  O28  1  0.744  0.143  0.761  1.0
  O  O29  1  0.736  0.153  0.259  1.0
  O  O30  1  0.066  0.310  0.902  1.0
  O  O31  1  0.439  0.309  0.916  1.0
  O  O32  1  0.057  0.301  0.394  1.0
  O  O33  1  0.430  0.312  0.410  1.0
  O  O34  1  0.271  0.428  0.703  1.0
  O  O35  1  0.729  0.429  0.588  1.0
  O  O36  1  0.256  0.430  0.199  1.0
  O  O37  1  0.754  0.423  0.091  1.0
  O  O38  1  0.254  0.577  0.909  1.0
  O  O39  1  0.756  0.570  0.801  1.0
  O  O40  1  0.229  0.571  0.412  1.0
  O  O41  1  0.771  0.572  0.297  1.0
  O  O42  1  0.557  0.699  0.606  1.0
  O  O43  1  0.930  0.688  0.590  1.0
  O  O44  1  0.566  0.690  0.098  1.0
  O  O45  1  0.939  0.691  0.084  1.0
  O  O46  1  0.236  0.847  0.741  1.0
  O  O47  1  0.244  0.857  0.239  1.0
  O  O48  1  0.255  0.924  0.523  1.0
  O  O49  1  0.254  0.925  0.020  1.0
  O  O50  1  0.745  0.888  0.831  1.0
  O  O51  1  0.782  0.899  0.321  1.0
[/CIF]
.