The compound described by MgFe3Co2Sb(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(20), one O(22), one O(23), one O(24), and one O(9) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. Sb(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(5) atom. is represented by the CIF file [CIF]
data_MgFe3Co2Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.735
_cell_length_b   8.725
_cell_length_c   8.721
_cell_angle_alpha   60.011
_cell_angle_beta   60.159
_cell_angle_gamma   60.222
_symmetry_Int_Tables_number   1
_cell_volume   471.396
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.749  0.750  0.751  1.0
  Fe  Fe1  1  0.115  0.628  0.628  1.0
  Fe  Fe2  1  0.384  0.872  0.872  1.0
  Fe  Fe3  1  0.940  0.353  0.354  1.0
  Co  Co4  1  0.014  0.996  0.995  1.0
  Co  Co5  1  0.515  0.494  0.496  1.0
  Sb  Sb6  1  0.563  0.146  0.145  1.0
  P  P7  1  0.248  0.256  0.538  1.0
  P  P8  1  0.246  0.958  0.256  1.0
  P  P9  1  0.246  0.539  0.958  1.0
  P  P10  1  0.745  0.454  0.054  1.0
  P  P11  1  0.745  0.053  0.748  1.0
  P  P12  1  0.744  0.747  0.455  1.0
  O  O13  1  0.082  0.099  0.349  1.0
  O  O14  1  0.081  0.471  0.099  1.0
  O  O15  1  0.083  0.350  0.470  1.0
  O  O16  1  0.204  0.104  0.734  1.0
  O  O17  1  0.428  0.154  0.401  1.0
  O  O18  1  0.304  0.396  0.543  1.0
  O  O19  1  0.202  0.960  0.103  1.0
  O  O20  1  0.300  0.759  0.396  1.0
  O  O21  1  0.575  0.620  0.004  1.0
  O  O22  1  0.300  0.544  0.759  1.0
  O  O23  1  0.757  0.257  0.069  1.0
  O  O24  1  0.575  0.005  0.800  1.0
  O  O25  1  0.428  0.016  0.154  1.0
  O  O26  1  0.204  0.734  0.959  1.0
  O  O27  1  0.735  0.424  0.248  1.0
  O  O28  1  0.428  0.401  0.016  1.0
  O  O29  1  0.737  0.247  0.592  1.0
  O  O30  1  0.757  0.069  0.917  1.0
  O  O31  1  0.734  0.592  0.426  1.0
  O  O32  1  0.575  0.800  0.621  1.0
  O  O33  1  0.757  0.917  0.257  1.0
  O  O34  1  0.916  0.703  0.496  1.0
  O  O35  1  0.917  0.495  0.885  1.0
  O  O36  1  0.917  0.885  0.704  1.0
[/CIF]
.
The compound described by MgFe3Co2Sb(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(20), one O(22), one O(23), one O(24), and one O(9) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. Sb(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form SbO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-54°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(1), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Fe(2), one Co(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(3), one Co(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Co(1), one Sb(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one P(5) atom. is represented by the CIF file [CIF]
data_MgFe3Co2Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.735
_cell_length_b   8.725
_cell_length_c   8.721
_cell_angle_alpha   60.011
_cell_angle_beta   60.159
_cell_angle_gamma   60.222
_symmetry_Int_Tables_number   1
_cell_volume   471.396
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.749  0.750  0.751  1.0
  Fe  Fe1  1  0.115  0.628  0.628  1.0
  Fe  Fe2  1  0.384  0.872  0.872  1.0
  Fe  Fe3  1  0.940  0.353  0.354  1.0
  Co  Co4  1  0.014  0.996  0.995  1.0
  Co  Co5  1  0.515  0.494  0.496  1.0
  Sb  Sb6  1  0.563  0.146  0.145  1.0
  P  P7  1  0.248  0.256  0.538  1.0
  P  P8  1  0.246  0.958  0.256  1.0
  P  P9  1  0.246  0.539  0.958  1.0
  P  P10  1  0.745  0.454  0.054  1.0
  P  P11  1  0.745  0.053  0.748  1.0
  P  P12  1  0.744  0.747  0.455  1.0
  O  O13  1  0.082  0.099  0.349  1.0
  O  O14  1  0.081  0.471  0.099  1.0
  O  O15  1  0.083  0.350  0.470  1.0
  O  O16  1  0.204  0.104  0.734  1.0
  O  O17  1  0.428  0.154  0.401  1.0
  O  O18  1  0.304  0.396  0.543  1.0
  O  O19  1  0.202  0.960  0.103  1.0
  O  O20  1  0.300  0.759  0.396  1.0
  O  O21  1  0.575  0.620  0.004  1.0
  O  O22  1  0.300  0.544  0.759  1.0
  O  O23  1  0.757  0.257  0.069  1.0
  O  O24  1  0.575  0.005  0.800  1.0
  O  O25  1  0.428  0.016  0.154  1.0
  O  O26  1  0.204  0.734  0.959  1.0
  O  O27  1  0.735  0.424  0.248  1.0
  O  O28  1  0.428  0.401  0.016  1.0
  O  O29  1  0.737  0.247  0.592  1.0
  O  O30  1  0.757  0.069  0.917  1.0
  O  O31  1  0.734  0.592  0.426  1.0
  O  O32  1  0.575  0.800  0.621  1.0
  O  O33  1  0.757  0.917  0.257  1.0
  O  O34  1  0.916  0.703  0.496  1.0
  O  O35  1  0.917  0.495  0.885  1.0
  O  O36  1  0.917  0.885  0.704  1.0
[/CIF]
.