The material structure described by Na5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(24), one O(26), one O(7), one O(9), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(23), one O(25), one O(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(3), one O(5), and two equivalent O(9) atoms. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(14), one O(2), one O(4), one O(6), and two equivalent O(10) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(23), one O(25), one O(27), and two equivalent O(19) atoms. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(24), one O(26), one O(28), and two equivalent O(20) atoms. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(23), one O(25), one O(27), and two equivalent O(21) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(24), one O(26), one O(28), and two equivalent O(22) atoms. In the ninth Na site, Na(9) is bonded in a 6-coordinate geometry to one O(19), one O(21), one O(4), one O(6), and two equivalent O(27) atoms. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one O(20), one O(22), one O(3), one O(5), and two equivalent O(28) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(16), one O(4), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(18), one O(20), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(3), one O(5), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(28), 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(27), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(3), two equivalent Na(1), and one C(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(4), two equivalent Na(2), and one C(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(10), one Na(3), one Fe(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(4), one Na(9), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(10), one Na(3), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(9), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(3), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(4), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one Fe(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Fe(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted tetrahedral geometry to one Na(6), one Na(8), one Fe(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(5), one Na(7), one Fe(4), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(8), one Fe(2), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(9), two equivalent Na(5), one Fe(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(10), two equivalent Na(6), one Fe(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(9), two equivalent Na(7), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(10), two equivalent Na(8), one Fe(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(7), one Fe(4), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(1), one Na(6), one Na(8), one Fe(2), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(7), one Fe(4), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(1), one Na(6), one Na(8), one Fe(2), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), two equivalent Na(9), and one C(2) atom. In the twenty-eighth O site, O(28) is bonded in a 5-coordinate geometry to one Na(6), one Na(8), two equivalent Na(10), and one C(1) atom. is represented by the CIF file [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   6.630
_cell_length_c   18.017
_cell_angle_alpha   88.160
_cell_angle_beta   89.018
_cell_angle_gamma   89.781
_symmetry_Int_Tables_number   1
_cell_volume   631.361
_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  0.775  0.234  0.046  1.0
  Na  Na1  1  0.767  0.227  0.545  1.0
  Na  Na2  1  0.245  0.485  0.134  1.0
  Na  Na3  1  0.247  0.513  0.628  1.0
  Na  Na4  1  0.752  0.486  0.373  1.0
  Na  Na5  1  0.746  0.506  0.867  1.0
  Na  Na6  1  0.751  0.997  0.370  1.0
  Na  Na7  1  0.747  0.979  0.864  1.0
  Na  Na8  1  0.246  0.764  0.463  1.0
  Na  Na9  1  0.242  0.757  0.964  1.0
  Fe  Fe10  1  0.778  0.764  0.671  1.0
  Fe  Fe11  1  0.216  0.244  0.824  1.0
  Fe  Fe12  1  0.783  0.767  0.174  1.0
  Fe  Fe13  1  0.225  0.245  0.325  1.0
  P  P14  1  0.706  0.257  0.209  1.0
  P  P15  1  0.716  0.258  0.712  1.0
  P  P16  1  0.280  0.745  0.288  1.0
  P  P17  1  0.284  0.744  0.792  1.0
  C  C18  1  0.728  0.747  0.033  1.0
  C  C19  1  0.727  0.744  0.527  1.0
  C  C20  1  0.277  0.253  0.469  1.0
  C  C21  1  0.279  0.255  0.964  1.0
  O  O22  1  0.316  0.292  0.031  1.0
  O  O23  1  0.304  0.288  0.538  1.0
  O  O24  1  0.950  0.757  0.063  1.0
  O  O25  1  0.948  0.751  0.558  1.0
  O  O26  1  0.534  0.751  0.078  1.0
  O  O27  1  0.527  0.747  0.569  1.0
  O  O28  1  0.773  0.066  0.162  1.0
  O  O29  1  0.762  0.071  0.666  1.0
  O  O30  1  0.790  0.443  0.158  1.0
  O  O31  1  0.781  0.445  0.663  1.0
  O  O32  1  0.120  0.740  0.217  1.0
  O  O33  1  0.144  0.739  0.720  1.0
  O  O34  1  0.419  0.269  0.223  1.0
  O  O35  1  0.431  0.271  0.738  1.0
  O  O36  1  0.568  0.748  0.265  1.0
  O  O37  1  0.576  0.747  0.782  1.0
  O  O38  1  0.848  0.251  0.283  1.0
  O  O39  1  0.870  0.251  0.786  1.0
  O  O40  1  0.230  0.558  0.340  1.0
  O  O41  1  0.212  0.557  0.846  1.0
  O  O42  1  0.219  0.930  0.335  1.0
  O  O43  1  0.205  0.933  0.840  1.0
  O  O44  1  0.476  0.232  0.425  1.0
  O  O45  1  0.467  0.235  0.916  1.0
  O  O46  1  0.053  0.236  0.440  1.0
  O  O47  1  0.051  0.236  0.937  1.0
  O  O48  1  0.708  0.738  0.455  1.0
  O  O49  1  0.703  0.739  0.962  1.0
[/CIF]
.
The material structure described by Na5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are ten inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(24), one O(26), one O(7), one O(9), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(23), one O(25), one O(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(3), one O(5), and two equivalent O(9) atoms. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(14), one O(2), one O(4), one O(6), and two equivalent O(10) atoms. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(23), one O(25), one O(27), and two equivalent O(19) atoms. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(24), one O(26), one O(28), and two equivalent O(20) atoms. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(23), one O(25), one O(27), and two equivalent O(21) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(24), one O(26), one O(28), and two equivalent O(22) atoms. In the ninth Na site, Na(9) is bonded in a 6-coordinate geometry to one O(19), one O(21), one O(4), one O(6), and two equivalent O(27) atoms. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one O(20), one O(22), one O(3), one O(5), and two equivalent O(28) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(16), one O(4), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(18), one O(20), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(4)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(3), one O(5), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(17), one O(19), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(28), 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(27), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(3), two equivalent Na(1), and one C(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(4), two equivalent Na(2), and one C(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(10), one Na(3), one Fe(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(4), one Na(9), one Fe(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Na(10), one Na(3), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(9), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(3), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(4), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(4), one Fe(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Fe(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted tetrahedral geometry to one Na(6), one Na(8), one Fe(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(5), one Na(7), one Fe(4), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(8), one Fe(2), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(9), two equivalent Na(5), one Fe(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(10), two equivalent Na(6), one Fe(2), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(9), two equivalent Na(7), one Fe(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(10), two equivalent Na(8), one Fe(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(7), one Fe(4), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(1), one Na(6), one Na(8), one Fe(2), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(5), one Na(7), one Fe(4), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one Na(1), one Na(6), one Na(8), one Fe(2), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), two equivalent Na(9), and one C(2) atom. In the twenty-eighth O site, O(28) is bonded in a 5-coordinate geometry to one Na(6), one Na(8), two equivalent Na(10), and one C(1) atom. is represented by the CIF file [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.289
_cell_length_b   6.630
_cell_length_c   18.017
_cell_angle_alpha   88.160
_cell_angle_beta   89.018
_cell_angle_gamma   89.781
_symmetry_Int_Tables_number   1
_cell_volume   631.361
_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  0.775  0.234  0.046  1.0
  Na  Na1  1  0.767  0.227  0.545  1.0
  Na  Na2  1  0.245  0.485  0.134  1.0
  Na  Na3  1  0.247  0.513  0.628  1.0
  Na  Na4  1  0.752  0.486  0.373  1.0
  Na  Na5  1  0.746  0.506  0.867  1.0
  Na  Na6  1  0.751  0.997  0.370  1.0
  Na  Na7  1  0.747  0.979  0.864  1.0
  Na  Na8  1  0.246  0.764  0.463  1.0
  Na  Na9  1  0.242  0.757  0.964  1.0
  Fe  Fe10  1  0.778  0.764  0.671  1.0
  Fe  Fe11  1  0.216  0.244  0.824  1.0
  Fe  Fe12  1  0.783  0.767  0.174  1.0
  Fe  Fe13  1  0.225  0.245  0.325  1.0
  P  P14  1  0.706  0.257  0.209  1.0
  P  P15  1  0.716  0.258  0.712  1.0
  P  P16  1  0.280  0.745  0.288  1.0
  P  P17  1  0.284  0.744  0.792  1.0
  C  C18  1  0.728  0.747  0.033  1.0
  C  C19  1  0.727  0.744  0.527  1.0
  C  C20  1  0.277  0.253  0.469  1.0
  C  C21  1  0.279  0.255  0.964  1.0
  O  O22  1  0.316  0.292  0.031  1.0
  O  O23  1  0.304  0.288  0.538  1.0
  O  O24  1  0.950  0.757  0.063  1.0
  O  O25  1  0.948  0.751  0.558  1.0
  O  O26  1  0.534  0.751  0.078  1.0
  O  O27  1  0.527  0.747  0.569  1.0
  O  O28  1  0.773  0.066  0.162  1.0
  O  O29  1  0.762  0.071  0.666  1.0
  O  O30  1  0.790  0.443  0.158  1.0
  O  O31  1  0.781  0.445  0.663  1.0
  O  O32  1  0.120  0.740  0.217  1.0
  O  O33  1  0.144  0.739  0.720  1.0
  O  O34  1  0.419  0.269  0.223  1.0
  O  O35  1  0.431  0.271  0.738  1.0
  O  O36  1  0.568  0.748  0.265  1.0
  O  O37  1  0.576  0.747  0.782  1.0
  O  O38  1  0.848  0.251  0.283  1.0
  O  O39  1  0.870  0.251  0.786  1.0
  O  O40  1  0.230  0.558  0.340  1.0
  O  O41  1  0.212  0.557  0.846  1.0
  O  O42  1  0.219  0.930  0.335  1.0
  O  O43  1  0.205  0.933  0.840  1.0
  O  O44  1  0.476  0.232  0.425  1.0
  O  O45  1  0.467  0.235  0.916  1.0
  O  O46  1  0.053  0.236  0.440  1.0
  O  O47  1  0.051  0.236  0.937  1.0
  O  O48  1  0.708  0.738  0.455  1.0
  O  O49  1  0.703  0.739  0.962  1.0
[/CIF]
.