The compound described by Co2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), one O(6), one O(8), one O(9), and one F(1) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(6), one O(8), one O(9), and one F(4) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one F(2) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Co site, Co(4) is bonded to one O(10), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Co site, Co(5) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one F(4) atom to form CoO5F octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the sixth Co site, Co(6) is bonded to one O(11), one O(2), one O(7), one O(8), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the seventh Co site, Co(7) is bonded to one O(1), one O(12), one O(3), one O(4), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the eighth Co site, Co(8) is bonded to one O(11), one O(2), one O(5), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(6), and one Co(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(5) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(3), one Co(6), and one Co(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(7) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(6), and one Co(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4), one Co(6), and one Co(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(7) atom. is represented by the CIF card [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   5.910
_cell_length_c   9.251
_cell_angle_alpha   108.600
_cell_angle_beta   90.869
_cell_angle_gamma   90.119
_symmetry_Int_Tables_number   1
_cell_volume   228.083
_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
  Co  Co0  1  0.467  0.629  0.762  1.0
  Co  Co1  1  0.520  0.119  0.736  1.0
  Co  Co2  1  0.512  0.384  0.255  1.0
  Co  Co3  1  0.533  0.864  0.245  1.0
  Co  Co4  1  0.988  0.503  0.006  1.0
  Co  Co5  1  0.009  0.748  0.500  1.0
  Co  Co6  1  0.965  0.997  0.996  1.0
  Co  Co7  1  0.006  0.253  0.499  1.0
  O  O8  1  0.803  0.304  0.103  1.0
  O  O9  1  0.809  0.047  0.593  1.0
  O  O10  1  0.801  0.796  0.100  1.0
  O  O11  1  0.675  0.924  0.844  1.0
  O  O12  1  0.703  0.173  0.347  1.0
  O  O13  1  0.685  0.422  0.849  1.0
  O  O14  1  0.704  0.673  0.347  1.0
  O  O15  1  0.302  0.827  0.654  1.0
  O  O16  1  0.303  0.327  0.654  1.0
  O  O17  1  0.317  0.578  0.156  1.0
  O  O18  1  0.202  0.452  0.403  1.0
  O  O19  1  0.182  0.702  0.906  1.0
  F  F20  1  0.783  0.555  0.610  1.0
  F  F21  1  0.310  0.076  0.149  1.0
  F  F22  1  0.222  0.946  0.391  1.0
  F  F23  1  0.198  0.200  0.896  1.0
[/CIF]
.
The compound described by Co2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), one O(6), one O(8), one O(9), and one F(1) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(6), one O(8), one O(9), and one F(4) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(5), one O(7), and one F(2) atom to form CoO5F octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Co site, Co(4) is bonded to one O(10), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(6)O4F2 octahedra, corners with two equivalent Co(7)O4F2 octahedra, corners with two equivalent Co(8)O4F2 octahedra, corners with two equivalent Co(5)O5F octahedra, and edges with two equivalent Co(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Co site, Co(5) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one F(4) atom to form CoO5F octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the sixth Co site, Co(6) is bonded to one O(11), one O(2), one O(7), one O(8), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the seventh Co site, Co(7) is bonded to one O(1), one O(12), one O(3), one O(4), one F(2), and one F(4) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the eighth Co site, Co(8) is bonded to one O(11), one O(2), one O(5), one O(9), one F(1), and one F(3) atom to form CoO4F2 octahedra that share corners with two equivalent Co(4)O4F2 octahedra, corners with two equivalent Co(1)O5F octahedra, corners with two equivalent Co(2)O5F octahedra, corners with two equivalent Co(3)O5F octahedra, and edges with two equivalent Co(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(3), one Co(5), and one Co(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(6), and one Co(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(4), one Co(5), and one Co(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(5) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(3), one Co(6), and one Co(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(7) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(6), and one Co(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(3), one Co(4), and one Co(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(4), one Co(6), and one Co(8) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(7) atom. is represented by the CIF card [CIF]
data_Co2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.402
_cell_length_b   5.910
_cell_length_c   9.251
_cell_angle_alpha   108.600
_cell_angle_beta   90.869
_cell_angle_gamma   90.119
_symmetry_Int_Tables_number   1
_cell_volume   228.083
_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
  Co  Co0  1  0.467  0.629  0.762  1.0
  Co  Co1  1  0.520  0.119  0.736  1.0
  Co  Co2  1  0.512  0.384  0.255  1.0
  Co  Co3  1  0.533  0.864  0.245  1.0
  Co  Co4  1  0.988  0.503  0.006  1.0
  Co  Co5  1  0.009  0.748  0.500  1.0
  Co  Co6  1  0.965  0.997  0.996  1.0
  Co  Co7  1  0.006  0.253  0.499  1.0
  O  O8  1  0.803  0.304  0.103  1.0
  O  O9  1  0.809  0.047  0.593  1.0
  O  O10  1  0.801  0.796  0.100  1.0
  O  O11  1  0.675  0.924  0.844  1.0
  O  O12  1  0.703  0.173  0.347  1.0
  O  O13  1  0.685  0.422  0.849  1.0
  O  O14  1  0.704  0.673  0.347  1.0
  O  O15  1  0.302  0.827  0.654  1.0
  O  O16  1  0.303  0.327  0.654  1.0
  O  O17  1  0.317  0.578  0.156  1.0
  O  O18  1  0.202  0.452  0.403  1.0
  O  O19  1  0.182  0.702  0.906  1.0
  F  F20  1  0.783  0.555  0.610  1.0
  F  F21  1  0.310  0.076  0.149  1.0
  F  F22  1  0.222  0.946  0.391  1.0
  F  F23  1  0.198  0.200  0.896  1.0
[/CIF]
.