The compound described by Fe3(SiO4)2 crystallizes in the triclinic P1 space group. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(15), one O(5), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(14), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(23), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(16), one O(17), one O(19), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(19), one O(20), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(20), one O(23), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(18), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, and corners with two equivalent Fe(6)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(17), one O(20), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(24), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, and corners with two equivalent Fe(9)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(9), and one Si(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(8) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(9) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(5) and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Fe(8) and one Si(4) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Fe(9) and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(3) and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(2) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(5) and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one Si(1) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Fe(7), and one Si(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Fe(8) and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Fe(1), one Fe(7), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   8.942
_cell_length_c   13.660
_cell_angle_alpha   106.399
_cell_angle_beta   100.885
_cell_angle_gamma   90.636
_symmetry_Int_Tables_number   1
_cell_volume   592.847
_cell_formula_units_Z   3
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
  Fe  Fe0  1  0.033  0.013  0.001  1.0
  Fe  Fe1  1  0.772  0.728  0.512  1.0
  Fe  Fe2  1  0.780  0.270  0.820  1.0
  Fe  Fe3  1  0.717  0.537  0.672  1.0
  Fe  Fe4  1  0.102  0.748  0.149  1.0
  Fe  Fe5  1  0.379  0.476  0.957  1.0
  Fe  Fe6  1  0.307  0.745  0.811  1.0
  Fe  Fe7  1  0.105  0.173  0.467  1.0
  Fe  Fe8  1  0.029  0.443  0.314  1.0
  Si  Si9  1  0.958  0.381  0.063  1.0
  Si  Si10  1  0.552  0.841  0.048  1.0
  Si  Si11  1  0.814  0.893  0.752  1.0
  Si  Si12  1  0.583  0.357  0.420  1.0
  Si  Si13  1  0.196  0.805  0.397  1.0
  Si  Si14  1  0.222  0.368  0.717  1.0
  O  O15  1  0.997  0.657  0.406  1.0
  O  O16  1  0.875  0.306  0.386  1.0
  O  O17  1  0.026  0.958  0.420  1.0
  O  O18  1  0.869  0.415  0.175  1.0
  O  O19  1  0.949  0.830  0.649  1.0
  O  O20  1  0.685  0.981  0.015  1.0
  O  O21  1  0.747  0.788  0.138  1.0
  O  O22  1  0.661  0.520  0.520  1.0
  O  O23  1  0.451  0.221  0.455  1.0
  O  O24  1  0.709  0.360  0.960  1.0
  O  O25  1  0.599  0.750  0.741  1.0
  O  O26  1  0.385  0.404  0.327  1.0
  O  O27  1  0.552  0.385  0.741  1.0
  O  O28  1  0.688  0.061  0.770  1.0
  O  O29  1  0.467  0.823  0.483  1.0
  O  O30  1  0.259  0.750  0.280  1.0
  O  O31  1  0.264  0.897  0.086  1.0
  O  O32  1  0.120  0.226  0.029  1.0
  O  O33  1  0.138  0.537  0.063  1.0
  O  O34  1  0.460  0.689  0.945  1.0
  O  O35  1  0.084  0.245  0.608  1.0
  O  O36  1  0.141  0.324  0.819  1.0
  O  O37  1  0.112  0.539  0.721  1.0
  O  O38  1  0.047  0.905  0.858  1.0
[/CIF]
.
The compound described by Fe3(SiO4)2 crystallizes in the triclinic P1 space group. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(15), one O(5), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(13), one O(14), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(23), and one O(8) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one O(16), one O(17), one O(19), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(19), one O(20), and one O(22) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(20), one O(23), and one O(24) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the eighth Fe site, Fe(8) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(9)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(12), one O(2), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(18), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, and corners with two equivalent Fe(6)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(17), one O(20), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(14), one O(24), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and corners with two equivalent Fe(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra, and corners with two equivalent Fe(9)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(13), one O(21), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(9), and one Si(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(8), one Fe(9), and one Si(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(8) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(9) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one Si(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(5) and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Fe(8) and one Si(4) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Fe(6), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Fe(9) and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Si(6) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(3) and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(2) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(5) and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one Si(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Si(1) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Fe(5), one Fe(6), and one Si(1) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Fe(6), one Fe(7), and one Si(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Fe(8) and one Si(6) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(6), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Fe(4), one Fe(7), and one Si(6) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Fe(1), one Fe(7), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   8.942
_cell_length_c   13.660
_cell_angle_alpha   106.399
_cell_angle_beta   100.885
_cell_angle_gamma   90.636
_symmetry_Int_Tables_number   1
_cell_volume   592.847
_cell_formula_units_Z   3
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
  Fe  Fe0  1  0.033  0.013  0.001  1.0
  Fe  Fe1  1  0.772  0.728  0.512  1.0
  Fe  Fe2  1  0.780  0.270  0.820  1.0
  Fe  Fe3  1  0.717  0.537  0.672  1.0
  Fe  Fe4  1  0.102  0.748  0.149  1.0
  Fe  Fe5  1  0.379  0.476  0.957  1.0
  Fe  Fe6  1  0.307  0.745  0.811  1.0
  Fe  Fe7  1  0.105  0.173  0.467  1.0
  Fe  Fe8  1  0.029  0.443  0.314  1.0
  Si  Si9  1  0.958  0.381  0.063  1.0
  Si  Si10  1  0.552  0.841  0.048  1.0
  Si  Si11  1  0.814  0.893  0.752  1.0
  Si  Si12  1  0.583  0.357  0.420  1.0
  Si  Si13  1  0.196  0.805  0.397  1.0
  Si  Si14  1  0.222  0.368  0.717  1.0
  O  O15  1  0.997  0.657  0.406  1.0
  O  O16  1  0.875  0.306  0.386  1.0
  O  O17  1  0.026  0.958  0.420  1.0
  O  O18  1  0.869  0.415  0.175  1.0
  O  O19  1  0.949  0.830  0.649  1.0
  O  O20  1  0.685  0.981  0.015  1.0
  O  O21  1  0.747  0.788  0.138  1.0
  O  O22  1  0.661  0.520  0.520  1.0
  O  O23  1  0.451  0.221  0.455  1.0
  O  O24  1  0.709  0.360  0.960  1.0
  O  O25  1  0.599  0.750  0.741  1.0
  O  O26  1  0.385  0.404  0.327  1.0
  O  O27  1  0.552  0.385  0.741  1.0
  O  O28  1  0.688  0.061  0.770  1.0
  O  O29  1  0.467  0.823  0.483  1.0
  O  O30  1  0.259  0.750  0.280  1.0
  O  O31  1  0.264  0.897  0.086  1.0
  O  O32  1  0.120  0.226  0.029  1.0
  O  O33  1  0.138  0.537  0.063  1.0
  O  O34  1  0.460  0.689  0.945  1.0
  O  O35  1  0.084  0.245  0.608  1.0
  O  O36  1  0.141  0.324  0.819  1.0
  O  O37  1  0.112  0.539  0.721  1.0
  O  O38  1  0.047  0.905  0.858  1.0
[/CIF]
.