##############################################################################
#                                                                            #
# Br-Co            # CoBr2                                         # 1300523 #
#                                                                            #
##############################################################################

data_1300523
_audit_creation_date                     2024-10-08
_audit_creation_method

# Entry summary

_chemical_formula_structural             'Co Br~2~'
_chemical_formula_sum                    'Br2 Co'
_chemical_name_mineral                   ?
_chemical_compound_source                ?
_chemical_name_structure_type            CdI₂,hP3,164
_chemical_formula_weight                 218.7
_chemical_melting_point                  960

# Bibliographic data

_publ_section_title
'La struttura cristallina dei bromuri di metalli bivalenti'                   
_journal_coden_ASTM                      AANLAW
_journal_name_full
'Atti Accad. Naz. Lincei, Cl. Sci. Fis., Mat. Nat., Rend.'                    
_journal_year                            1929
_journal_volume                          9
_journal_page_first                      1134
_journal_page_last                       1140
_journal_language                        Italian
loop_
 _publ_author_name
 _publ_author_address
'Ferrari A.'
;
Milan University (UniMi)
Istituto di Chimica Generale e Chimica Fisica
Milan
Italy
;
'Giorgi F.'
;
Milan University (UniMi)
Istituto di Chimica Generale e Chimica Fisica
Milan
Italy
;

# Standardized crystallographic data

_cell_length_a                           3.685
_cell_length_b                           3.685
_cell_length_c                           6.12
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             72
_cell_formula_units_Z                    1
_space_group_IT_number                   164
_space_group_name_H-M_alt                'P -3 m 1'
loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+y, -x, z'
 3 '-x+y, y, z'
 4 '-x, -x+y, -z'
 5 '-x, -y, -z'
 6 '-y, -x, z'
 7 '-y, x-y, z'
 8 'x, x-y, z'
 9 'x-y, -y, -z'
 10 'x-y, x, -z'
 11 'y, -x+y, -z'
 12 'y, x, -z'
loop_
 _atom_type_symbol
 Br
 Co
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_occupancy
 Br Br 2 d 0.333333 0.666667 0.25 1
 Co Co 1 a 0 0 0 1


_exptl_crystal_colour                    ?
_exptl_crystal_density_meas              ?
_exptl_crystal_density_diffrn            5.05
_cell_measurement_temperature            ?
_cell_measurement_radiation              'X-rays, Fe Ka'
_cell_measurement_reflns_used            ?
_diffrn_ambient_temperature              ?
_diffrn_measurement_device               'Debye film'
_diffrn_measurement_device_type          ?
_diffrn_radiation_type                   'X-rays, Fe Ka'
_diffrn_reflns_number                    ?
_exptl_absorpt_coefficient_mu            ?
_exptl_absorpt_correction_type           ?
_computing_structure_solution            'starting values from the literature'
_refine_ls_number_parameters             ?
_refine_ls_number_reflns                 ?
_refine_ls_R_factor_gt                   ?
_refine_ls_wR_factor_gt                  ?
_pd_proc_ls_proof_R_factor               ?
_pd_proc_ls_proof_wR_factor              ?
_refine_ls_R_I_factor                    ?

# Published diffraction lines

loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_d_spacing
 _refln_intensity_meas
 0 0 2 3.005 5
 1 0 1 2.781 8
 1 0 2 2.188 6
 1 1 0 1.836 5
 1 0 3 1.717 8
 0 0 4 1.53 6
 2 0 2 1.417 5
 2 0 3 1.258 4
 1 2 1 1.184 7
 1 0 5 1.144 5
 1 2 2 1.125 5
 3 0 0 1.067 3
 1 2 3 1.039 6
 0 0 6 1.021 5

# End of data set 1300523

