The material structure described by Li3FeO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imm2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Li site, Li(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(4), one Li(5), two equivalent Li(2), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Li(4), one Li(5), two equivalent Li(1), and two equivalent Fe(2) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(5), and one Fe(1) atom to form OLi5Fe octahedra that share corners with two equivalent O(7)Li5Fe octahedra, corners with four equivalent O(6)Li5Fe octahedra,  an edgeedge with one O(4)Li5Fe octahedra,  an edgeedge with one O(5)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(7)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(3), two equivalent Li(4), and one Fe(2) atom to form OLi5Fe octahedra that share corners with two equivalent O(6)Li5Fe octahedra, corners with four equivalent O(7)Li5Fe octahedra,  an edgeedge with one O(4)Li5Fe octahedra,  an edgeedge with one O(5)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(4), and one Fe(1) atom to form OLi5Fe octahedra that share corners with two equivalent O(5)Li5Fe octahedra, corners with four equivalent O(4)Li5Fe octahedra,  an edgeedge with one O(6)Li5Fe octahedra,  an edgeedge with one O(7)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(3), two equivalent Li(5), and one Fe(2) atom to form OLi5Fe octahedra that share corners with two equivalent O(4)Li5Fe octahedra, corners with four equivalent O(5)Li5Fe octahedra,  an edgeedge with one O(6)Li5Fe octahedra,  an edgeedge with one O(7)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   7.651
_cell_length_c   7.653
_cell_angle_alpha   63.947
_cell_angle_beta   112.997
_cell_angle_gamma   113.004
_symmetry_Int_Tables_number   1
_cell_volume   279.040
_cell_formula_units_Z   4
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  0.375  0.876  0.377  1.0
  Li  Li1  1  0.627  0.128  0.629  1.0
  Li  Li2  1  0.867  0.368  0.869  1.0
  Li  Li3  1  0.119  0.620  0.121  1.0
  Li  Li4  1  0.748  0.749  0.748  1.0
  Li  Li5  1  0.993  0.001  0.995  1.0
  Li  Li6  1  0.248  0.249  0.248  1.0
  Li  Li7  1  0.502  0.496  0.501  1.0
  Li  Li8  1  0.746  0.249  0.248  1.0
  Li  Li9  1  0.992  0.496  0.500  1.0
  Li  Li10  1  0.246  0.749  0.747  1.0
  Li  Li11  1  0.500  0.001  0.995  1.0
  Fe  Fe12  1  0.124  0.126  0.625  1.0
  Fe  Fe13  1  0.370  0.372  0.871  1.0
  Fe  Fe14  1  0.873  0.874  0.374  1.0
  Fe  Fe15  1  0.621  0.623  0.122  1.0
  O  O16  1  0.215  0.991  0.489  1.0
  O  O17  1  0.484  0.249  0.748  1.0
  O  O18  1  0.731  0.507  0.006  1.0
  O  O19  1  0.964  0.749  0.248  1.0
  O  O20  1  0.279  0.507  0.006  1.0
  O  O21  1  0.529  0.749  0.248  1.0
  O  O22  1  0.762  0.991  0.489  1.0
  O  O23  1  0.010  0.249  0.748  1.0
  O  O24  1  0.370  0.601  0.642  1.0
  O  O25  1  0.621  0.853  0.892  1.0
  O  O26  1  0.873  0.105  0.144  1.0
  O  O27  1  0.124  0.354  0.396  1.0
  O  O28  1  0.370  0.144  0.100  1.0
  O  O29  1  0.621  0.394  0.351  1.0
  O  O30  1  0.872  0.645  0.603  1.0
  O  O31  1  0.123  0.897  0.853  1.0
[/CIF]
.
The material structure described by Li3FeO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imm2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Li site, Li(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share corners with two equivalent O(1)Li4Fe2 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(4), one Li(5), two equivalent Li(2), and two equivalent Fe(1) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Li(4), one Li(5), two equivalent Li(1), and two equivalent Fe(2) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(2)Li4Fe2 octahedra, corners with four equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, edges with two equivalent O(5)Li5Fe octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with two equivalent O(7)Li5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(5), and one Fe(1) atom to form OLi5Fe octahedra that share corners with two equivalent O(7)Li5Fe octahedra, corners with four equivalent O(6)Li5Fe octahedra,  an edgeedge with one O(4)Li5Fe octahedra,  an edgeedge with one O(5)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(7)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(3), two equivalent Li(4), and one Fe(2) atom to form OLi5Fe octahedra that share corners with two equivalent O(6)Li5Fe octahedra, corners with four equivalent O(7)Li5Fe octahedra,  an edgeedge with one O(4)Li5Fe octahedra,  an edgeedge with one O(5)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(6)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(4), and one Fe(1) atom to form OLi5Fe octahedra that share corners with two equivalent O(5)Li5Fe octahedra, corners with four equivalent O(4)Li5Fe octahedra,  an edgeedge with one O(6)Li5Fe octahedra,  an edgeedge with one O(7)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(5)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(3), two equivalent Li(5), and one Fe(2) atom to form OLi5Fe octahedra that share corners with two equivalent O(4)Li5Fe octahedra, corners with four equivalent O(5)Li5Fe octahedra,  an edgeedge with one O(6)Li5Fe octahedra,  an edgeedge with one O(7)Li5Fe octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li5Fe octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li3FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   7.651
_cell_length_c   7.653
_cell_angle_alpha   63.947
_cell_angle_beta   112.997
_cell_angle_gamma   113.004
_symmetry_Int_Tables_number   1
_cell_volume   279.040
_cell_formula_units_Z   4
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  0.375  0.876  0.377  1.0
  Li  Li1  1  0.627  0.128  0.629  1.0
  Li  Li2  1  0.867  0.368  0.869  1.0
  Li  Li3  1  0.119  0.620  0.121  1.0
  Li  Li4  1  0.748  0.749  0.748  1.0
  Li  Li5  1  0.993  0.001  0.995  1.0
  Li  Li6  1  0.248  0.249  0.248  1.0
  Li  Li7  1  0.502  0.496  0.501  1.0
  Li  Li8  1  0.746  0.249  0.248  1.0
  Li  Li9  1  0.992  0.496  0.500  1.0
  Li  Li10  1  0.246  0.749  0.747  1.0
  Li  Li11  1  0.500  0.001  0.995  1.0
  Fe  Fe12  1  0.124  0.126  0.625  1.0
  Fe  Fe13  1  0.370  0.372  0.871  1.0
  Fe  Fe14  1  0.873  0.874  0.374  1.0
  Fe  Fe15  1  0.621  0.623  0.122  1.0
  O  O16  1  0.215  0.991  0.489  1.0
  O  O17  1  0.484  0.249  0.748  1.0
  O  O18  1  0.731  0.507  0.006  1.0
  O  O19  1  0.964  0.749  0.248  1.0
  O  O20  1  0.279  0.507  0.006  1.0
  O  O21  1  0.529  0.749  0.248  1.0
  O  O22  1  0.762  0.991  0.489  1.0
  O  O23  1  0.010  0.249  0.748  1.0
  O  O24  1  0.370  0.601  0.642  1.0
  O  O25  1  0.621  0.853  0.892  1.0
  O  O26  1  0.873  0.105  0.144  1.0
  O  O27  1  0.124  0.354  0.396  1.0
  O  O28  1  0.370  0.144  0.100  1.0
  O  O29  1  0.621  0.394  0.351  1.0
  O  O30  1  0.872  0.645  0.603  1.0
  O  O31  1  0.123  0.897  0.853  1.0
[/CIF]
.