data_NiF3
_chemical_name_systematic 'Nickel trifluoride - R'
_chemical_formula_structural 'Ni F3'
_chemical_formula_sum 'F3 Ni1'
_chemical_name_structure_type LiSbF6
_exptl_crystal_density_diffrn 4.4
_cell_measurement_temperature 295.
_publ_section_title

;
The structure of R-(Ni F3), and synthesis, and magnetism of new R3-M(II)
Ni(IV) F6 (M = Fe, Co, Cu, Zn), and M(II) Ni(II) F4 (M = Co, Cu)
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'C.R. Acad. Sci. Paris, T. 1, Serie II' 1999 2 557 563 CASCFN
loop_
_publ_author_name
'Shen, C.'
'Chacon, L.C.'
'Rosov, N.'
'Elder, S.H.'
'Allman, J.C.'
'Bartlett, N.'
_cell_length_a 5.1606(1)
_cell_length_b 5.1606(1)
_cell_length_c 5.1606(1)
_cell_angle_alpha 55.594(1)
_cell_angle_beta 55.594(1)
_cell_angle_gamma 55.594(1)
_cell_volume 87.24
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'R -3 R'
_symmetry_Int_Tables_number 148
_refine_ls_R_factor_all 0.059
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-z, -x, -y'
2 '-y, -z, -x'
3 '-x, -y, -z'
4 'z, x, y'
5 'y, z, x'
6 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
F1- -1
Ni3+ 3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
F1 F1- 6 f 0.8992(8) 0.6209(7) 0.2342(9) 0.0159(4) 1. 0
Ni1 Ni3+ 1 a 0 0 0 0.0147(13) 1. 0
Ni2 Ni3+ 1 b 0.5 0.5 0.5 0.0126(24) 1. 0