The structure described by Li2Mn4Si4O13 is Esseneite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-87°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-72°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Si(4) atom to form distorted OMn3Si tetrahedra that share  a cornercorner with one O(7)Mn3Si tetrahedra, corners with three equivalent O(5)LiMn2Si tetrahedra,  a cornercorner with one O(2)LiMn2Si trigonal pyramid, corners with two equivalent O(4)LiMn2Si trigonal pyramids,  an edgeedge with one O(1)Mn3Si tetrahedra, and  an edgeedge with one O(2)LiMn2Si trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Si(1) atom to form distorted OLiMn2Si trigonal pyramids that share  a cornercorner with one O(1)Mn3Si tetrahedra, corners with three equivalent O(5)LiMn2Si tetrahedra,  a cornercorner with one O(4)LiMn2Si trigonal pyramid,  an edgeedge with one O(1)Mn3Si tetrahedra, and  an edgeedge with one O(4)LiMn2Si trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(4), and one Si(1) atom to form distorted OLiMn2Si trigonal pyramids that share corners with two equivalent O(5)LiMn2Si tetrahedra, corners with two equivalent O(1)Mn3Si tetrahedra, corners with two equivalent O(7)Mn3Si tetrahedra,  a cornercorner with one O(2)LiMn2Si trigonal pyramid, and  an edgeedge with one O(2)LiMn2Si trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Mn(1), one Mn(2), and one Si(2) atom to form OLiMn2Si tetrahedra that share corners with three equivalent O(1)Mn3Si tetrahedra, corners with two equivalent O(4)LiMn2Si trigonal pyramids, and corners with three equivalent O(2)LiMn2Si trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(2), and one Si(3) atom. In the seventh O site, O(7) is bonded to one Mn(3), two equivalent Mn(4), and one Si(4) atom to form distorted OMn3Si tetrahedra that share  a cornercorner with one O(1)Mn3Si tetrahedra, corners with two equivalent O(4)LiMn2Si trigonal pyramids, and  an edgeedge with one O(7)Mn3Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(4), two equivalent Mn(3), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), one Mn(4), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn4Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   8.060
_cell_length_c   10.398
_cell_angle_alpha   111.567
_cell_angle_beta   89.795
_cell_angle_gamma   101.949
_symmetry_Int_Tables_number   1
_cell_volume   530.977
_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
  Li  Li0  1  0.772  0.601  0.114  1.0
  Li  Li1  1  0.256  0.437  0.415  1.0
  Li  Li2  1  0.744  0.563  0.585  1.0
  Li  Li3  1  0.228  0.399  0.886  1.0
  Mn  Mn4  1  0.083  0.807  0.002  1.0
  Mn  Mn5  1  0.570  0.809  0.008  1.0
  Mn  Mn6  1  0.576  0.817  0.389  1.0
  Mn  Mn7  1  0.072  0.809  0.393  1.0
  Mn  Mn8  1  0.928  0.191  0.607  1.0
  Mn  Mn9  1  0.424  0.183  0.611  1.0
  Mn  Mn10  1  0.430  0.191  0.992  1.0
  Mn  Mn11  1  0.917  0.193  0.998  1.0
  Si  Si12  1  0.270  0.590  0.178  1.0
  Si  Si13  1  0.721  0.410  0.292  1.0
  Si  Si14  1  0.373  0.117  0.281  1.0
  Si  Si15  1  0.924  0.103  0.280  1.0
  Si  Si16  1  0.076  0.897  0.720  1.0
  Si  Si17  1  0.627  0.883  0.719  1.0
  Si  Si18  1  0.279  0.590  0.708  1.0
  Si  Si19  1  0.730  0.410  0.822  1.0
  O  O20  1  0.862  0.994  0.115  1.0
  O  O21  1  0.212  0.375  0.070  1.0
  O  O22  1  0.499  0.682  0.159  1.0
  O  O23  1  0.098  0.700  0.163  1.0
  O  O24  1  0.719  0.358  0.125  1.0
  O  O25  1  0.390  0.011  0.116  1.0
  O  O26  1  0.865  0.993  0.384  1.0
  O  O27  1  0.404  0.021  0.389  1.0
  O  O28  1  0.274  0.625  0.347  1.0
  O  O29  1  0.783  0.628  0.386  1.0
  O  O30  1  0.161  0.176  0.302  1.0
  O  O31  1  0.504  0.332  0.337  1.0
  O  O32  1  0.863  0.303  0.344  1.0
  O  O33  1  0.137  0.697  0.656  1.0
  O  O34  1  0.496  0.668  0.663  1.0
  O  O35  1  0.839  0.824  0.698  1.0
  O  O36  1  0.217  0.372  0.614  1.0
  O  O37  1  0.726  0.375  0.653  1.0
  O  O38  1  0.596  0.979  0.611  1.0
  O  O39  1  0.135  0.007  0.616  1.0
  O  O40  1  0.610  0.989  0.884  1.0
  O  O41  1  0.281  0.642  0.875  1.0
  O  O42  1  0.902  0.300  0.837  1.0
  O  O43  1  0.501  0.318  0.841  1.0
  O  O44  1  0.788  0.625  0.930  1.0
  O  O45  1  0.138  0.006  0.885  1.0
[/CIF]
.
The structure described by Li2Mn4Si4O13 is Esseneite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-87°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(7), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(13), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-72°. In the fourth Si site, Si(4) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Si(4) atom to form distorted OMn3Si tetrahedra that share  a cornercorner with one O(7)Mn3Si tetrahedra, corners with three equivalent O(5)LiMn2Si tetrahedra,  a cornercorner with one O(2)LiMn2Si trigonal pyramid, corners with two equivalent O(4)LiMn2Si trigonal pyramids,  an edgeedge with one O(1)Mn3Si tetrahedra, and  an edgeedge with one O(2)LiMn2Si trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one Si(1) atom to form distorted OLiMn2Si trigonal pyramids that share  a cornercorner with one O(1)Mn3Si tetrahedra, corners with three equivalent O(5)LiMn2Si tetrahedra,  a cornercorner with one O(4)LiMn2Si trigonal pyramid,  an edgeedge with one O(1)Mn3Si tetrahedra, and  an edgeedge with one O(4)LiMn2Si trigonal pyramid. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(4), and one Si(1) atom to form distorted OLiMn2Si trigonal pyramids that share corners with two equivalent O(5)LiMn2Si tetrahedra, corners with two equivalent O(1)Mn3Si tetrahedra, corners with two equivalent O(7)Mn3Si tetrahedra,  a cornercorner with one O(2)LiMn2Si trigonal pyramid, and  an edgeedge with one O(2)LiMn2Si trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Mn(1), one Mn(2), and one Si(2) atom to form OLiMn2Si tetrahedra that share corners with three equivalent O(1)Mn3Si tetrahedra, corners with two equivalent O(4)LiMn2Si trigonal pyramids, and corners with three equivalent O(2)LiMn2Si trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(2), and one Si(3) atom. In the seventh O site, O(7) is bonded to one Mn(3), two equivalent Mn(4), and one Si(4) atom to form distorted OMn3Si tetrahedra that share  a cornercorner with one O(1)Mn3Si tetrahedra, corners with two equivalent O(4)LiMn2Si trigonal pyramids, and  an edgeedge with one O(7)Mn3Si tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(4), two equivalent Mn(3), and one Si(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(3), one Mn(4), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Mn(3), one Mn(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(3), and one Si(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Si(2), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn4Si4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   8.060
_cell_length_c   10.398
_cell_angle_alpha   111.567
_cell_angle_beta   89.795
_cell_angle_gamma   101.949
_symmetry_Int_Tables_number   1
_cell_volume   530.977
_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
  Li  Li0  1  0.772  0.601  0.114  1.0
  Li  Li1  1  0.256  0.437  0.415  1.0
  Li  Li2  1  0.744  0.563  0.585  1.0
  Li  Li3  1  0.228  0.399  0.886  1.0
  Mn  Mn4  1  0.083  0.807  0.002  1.0
  Mn  Mn5  1  0.570  0.809  0.008  1.0
  Mn  Mn6  1  0.576  0.817  0.389  1.0
  Mn  Mn7  1  0.072  0.809  0.393  1.0
  Mn  Mn8  1  0.928  0.191  0.607  1.0
  Mn  Mn9  1  0.424  0.183  0.611  1.0
  Mn  Mn10  1  0.430  0.191  0.992  1.0
  Mn  Mn11  1  0.917  0.193  0.998  1.0
  Si  Si12  1  0.270  0.590  0.178  1.0
  Si  Si13  1  0.721  0.410  0.292  1.0
  Si  Si14  1  0.373  0.117  0.281  1.0
  Si  Si15  1  0.924  0.103  0.280  1.0
  Si  Si16  1  0.076  0.897  0.720  1.0
  Si  Si17  1  0.627  0.883  0.719  1.0
  Si  Si18  1  0.279  0.590  0.708  1.0
  Si  Si19  1  0.730  0.410  0.822  1.0
  O  O20  1  0.862  0.994  0.115  1.0
  O  O21  1  0.212  0.375  0.070  1.0
  O  O22  1  0.499  0.682  0.159  1.0
  O  O23  1  0.098  0.700  0.163  1.0
  O  O24  1  0.719  0.358  0.125  1.0
  O  O25  1  0.390  0.011  0.116  1.0
  O  O26  1  0.865  0.993  0.384  1.0
  O  O27  1  0.404  0.021  0.389  1.0
  O  O28  1  0.274  0.625  0.347  1.0
  O  O29  1  0.783  0.628  0.386  1.0
  O  O30  1  0.161  0.176  0.302  1.0
  O  O31  1  0.504  0.332  0.337  1.0
  O  O32  1  0.863  0.303  0.344  1.0
  O  O33  1  0.137  0.697  0.656  1.0
  O  O34  1  0.496  0.668  0.663  1.0
  O  O35  1  0.839  0.824  0.698  1.0
  O  O36  1  0.217  0.372  0.614  1.0
  O  O37  1  0.726  0.375  0.653  1.0
  O  O38  1  0.596  0.979  0.611  1.0
  O  O39  1  0.135  0.007  0.616  1.0
  O  O40  1  0.610  0.989  0.884  1.0
  O  O41  1  0.281  0.642  0.875  1.0
  O  O42  1  0.902  0.300  0.837  1.0
  O  O43  1  0.501  0.318  0.841  1.0
  O  O44  1  0.788  0.625  0.930  1.0
  O  O45  1  0.138  0.006  0.885  1.0
[/CIF]
.