The crystal structure described by MgVCr2Fe3(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. V(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 distorted VO6 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 Cr(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 V(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. In the second Cr site, Cr(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 CrO6 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. 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 Cr(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 Cr(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 distorted 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 Cr(2)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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-56°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-53°. 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 Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), 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 Cr(2), one Fe(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Cr(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 V(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), 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 V(1), one Cr(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 card [CIF]
data_MgVCr2Fe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.666
_cell_length_c   8.672
_cell_angle_alpha   59.970
_cell_angle_beta   59.907
_cell_angle_gamma   59.872
_symmetry_Int_Tables_number   1
_cell_volume   456.507
_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  0.750  0.750  0.750  1.0
  V  V1  1  0.563  0.144  0.146  1.0
  Cr  Cr2  1  0.989  0.005  0.003  1.0
  Cr  Cr3  1  0.513  0.495  0.496  1.0
  Fe  Fe4  1  0.114  0.629  0.629  1.0
  Fe  Fe5  1  0.386  0.872  0.872  1.0
  Fe  Fe6  1  0.948  0.351  0.351  1.0
  P  P7  1  0.250  0.250  0.542  1.0
  P  P8  1  0.249  0.958  0.250  1.0
  P  P9  1  0.250  0.542  0.958  1.0
  P  P10  1  0.749  0.449  0.053  1.0
  P  P11  1  0.751  0.052  0.748  1.0
  P  P12  1  0.749  0.749  0.449  1.0
  O  O13  1  0.076  0.095  0.349  1.0
  O  O14  1  0.076  0.480  0.095  1.0
  O  O15  1  0.074  0.350  0.482  1.0
  O  O16  1  0.190  0.110  0.750  1.0
  O  O17  1  0.422  0.151  0.407  1.0
  O  O18  1  0.308  0.392  0.550  1.0
  O  O19  1  0.190  0.951  0.109  1.0
  O  O20  1  0.309  0.752  0.391  1.0
  O  O21  1  0.575  0.613  0.001  1.0
  O  O22  1  0.308  0.550  0.751  1.0
  O  O23  1  0.775  0.248  0.071  1.0
  O  O24  1  0.577  0.000  0.810  1.0
  O  O25  1  0.424  0.019  0.150  1.0
  O  O26  1  0.191  0.749  0.952  1.0
  O  O27  1  0.724  0.430  0.253  1.0
  O  O28  1  0.425  0.404  0.018  1.0
  O  O29  1  0.725  0.253  0.592  1.0
  O  O30  1  0.779  0.069  0.905  1.0
  O  O31  1  0.724  0.593  0.430  1.0
  O  O32  1  0.576  0.809  0.614  1.0
  O  O33  1  0.774  0.908  0.248  1.0
  O  O34  1  0.923  0.691  0.499  1.0
  O  O35  1  0.922  0.500  0.888  1.0
  O  O36  1  0.924  0.887  0.688  1.0
[/CIF]
.
The crystal structure described by MgVCr2Fe3(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. V(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 distorted VO6 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 Cr(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 V(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. In the second Cr site, Cr(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 CrO6 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. 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 Cr(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 Cr(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 distorted 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 Cr(2)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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-57°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-56°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-54°. 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 V(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-53°. 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 Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), 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 Cr(2), one Fe(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one Cr(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 V(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), 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 V(1), one Cr(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 card [CIF]
data_MgVCr2Fe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   8.666
_cell_length_c   8.672
_cell_angle_alpha   59.970
_cell_angle_beta   59.907
_cell_angle_gamma   59.872
_symmetry_Int_Tables_number   1
_cell_volume   456.507
_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  0.750  0.750  0.750  1.0
  V  V1  1  0.563  0.144  0.146  1.0
  Cr  Cr2  1  0.989  0.005  0.003  1.0
  Cr  Cr3  1  0.513  0.495  0.496  1.0
  Fe  Fe4  1  0.114  0.629  0.629  1.0
  Fe  Fe5  1  0.386  0.872  0.872  1.0
  Fe  Fe6  1  0.948  0.351  0.351  1.0
  P  P7  1  0.250  0.250  0.542  1.0
  P  P8  1  0.249  0.958  0.250  1.0
  P  P9  1  0.250  0.542  0.958  1.0
  P  P10  1  0.749  0.449  0.053  1.0
  P  P11  1  0.751  0.052  0.748  1.0
  P  P12  1  0.749  0.749  0.449  1.0
  O  O13  1  0.076  0.095  0.349  1.0
  O  O14  1  0.076  0.480  0.095  1.0
  O  O15  1  0.074  0.350  0.482  1.0
  O  O16  1  0.190  0.110  0.750  1.0
  O  O17  1  0.422  0.151  0.407  1.0
  O  O18  1  0.308  0.392  0.550  1.0
  O  O19  1  0.190  0.951  0.109  1.0
  O  O20  1  0.309  0.752  0.391  1.0
  O  O21  1  0.575  0.613  0.001  1.0
  O  O22  1  0.308  0.550  0.751  1.0
  O  O23  1  0.775  0.248  0.071  1.0
  O  O24  1  0.577  0.000  0.810  1.0
  O  O25  1  0.424  0.019  0.150  1.0
  O  O26  1  0.191  0.749  0.952  1.0
  O  O27  1  0.724  0.430  0.253  1.0
  O  O28  1  0.425  0.404  0.018  1.0
  O  O29  1  0.725  0.253  0.592  1.0
  O  O30  1  0.779  0.069  0.905  1.0
  O  O31  1  0.724  0.593  0.430  1.0
  O  O32  1  0.576  0.809  0.614  1.0
  O  O33  1  0.774  0.908  0.248  1.0
  O  O34  1  0.923  0.691  0.499  1.0
  O  O35  1  0.922  0.500  0.888  1.0
  O  O36  1  0.924  0.887  0.688  1.0
[/CIF]
.