data_CrBr2
_chemical_name_systematic 'Chromium(II) bromide'
_chemical_formula_structural 'Cr Br2'
_chemical_formula_sum 'Br2 Cr1'
_chemical_name_structure_type AuTe2
_exptl_crystal_density_diffrn 4.37
_publ_section_title 'Crystal structure of chromium(II) bromide'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1962 15 672 674 ACCRA9
loop_
_publ_author_name
'Tracy, J.W.'
'Gregory, N.W.'
'Lingafelter, E.C.'
_cell_length_a 7.114(5)
_cell_length_b 3.649(5)
_cell_length_c 6.217(5)
_cell_angle_alpha 90.
_cell_angle_beta 93.88
_cell_angle_gamma 90.
_cell_volume 161.02
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_Int_Tables_number 12
_refine_ls_R_factor_all 0.105
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, y, -z'
2 '-x, -y, -z'
3 'x, -y, z'
4 'x, y, z'
5 '-x+1/2, y+1/2, -z'
6 '-x+1/2, -y+1/2, -z'
7 'x+1/2, -y+1/2, z'
8 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr2+ 2
Br1- -1
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
Cr1 Cr2+ 2 a 0 0 0 1.2 1. 0
Br1 Br1- 4 i 0.6489 0 0.2409 0.8 1. 0