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#                                                                            #
# Au-Cl            # AuCl ht                                       #  541779 #
#                                                                            #
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data_541779
_audit_creation_date                     2024-10-08
_audit_creation_method

# Entry summary

_chemical_formula_structural             'Au Cl'
_chemical_formula_sum                    'Au Cl'
_chemical_name_mineral                   ?
_chemical_compound_source                ?
_chemical_name_structure_type            AuCl,tI16,141
_chemical_formula_weight                 232.4

# Bibliographic data

_publ_section_title
'The preparation and crystal structure of gold monochloride, AuCl'            
_journal_coden_ASTM                      JCOMAH
_journal_name_full                       'J. Less-Common Met.'
_journal_year                            1974
_journal_volume                          38
_journal_page_first                      71
_journal_page_last                       76
_journal_language                        English
loop_
 _publ_author_name
 _publ_author_address
'Janssen E.M.W.'
;
Groningen University
Laboratorium voor Anorganische Chemie
Groningen
Netherlands
;
'Folmer J.C.W.'
;
Groningen University
Laboratorium voor Anorganische Chemie
Groningen
Netherlands
;
'Wiegers G.A.'
;
Groningen University
Laboratorium voor Anorganische Chemie
Groningen
Netherlands
;

# Standardized crystallographic data

_cell_length_a                           6.734
_cell_length_b                           6.734
_cell_length_c                           8.674
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             393.34
_cell_formula_units_Z                    8
_space_group_IT_number                   141
_space_group_name_H-M_alt                'I 41/a m d (origin choice 2)'
loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, 1/2-y, z'
 3 '-x, -y, -z'
 4 '-x, 1/2+y, -z'
 5 '-x, y, z'
 6 '1/4-y, 1/4-x, -1/4-z'
 7 '1/4-y, -1/4+x, 1/4+z'
 8 '-1/4-y, 1/4-x, -1/4+z'
 9 '-1/4-y, -1/4+x, 1/4-z'
 10 'x, 1/2-y, z'
 11 'x, -y, -z'
 12 'x, 1/2+y, -z'
 13 '1/4+y, 1/4-x, -1/4+z'
 14 '1/4+y, -1/4+x, 1/4-z'
 15 '-1/4+y, 1/4-x, -1/4-z'
 16 '-1/4+y, -1/4+x, 1/4+z'
 17 '1/2+x, 1/2+y, 1/2+z'
 18 '1/2-x, 1-y, 1/2+z'
 19 '1/2-x, 1/2-y, 1/2-z'
 20 '1/2-x, 1+y, 1/2-z'
 21 '1/2-x, 1/2+y, 1/2+z'
 22 '3/4-y, 3/4-x, 1/4-z'
 23 '3/4-y, 1/4+x, 3/4+z'
 24 '1/4-y, 3/4-x, 1/4+z'
 25 '1/4-y, 1/4+x, 3/4-z'
 26 '1/2+x, 1-y, 1/2+z'
 27 '1/2+x, 1/2-y, 1/2-z'
 28 '1/2+x, 1+y, 1/2-z'
 29 '3/4+y, 3/4-x, 1/4+z'
 30 '3/4+y, 1/4+x, 3/4-z'
 31 '1/4+y, 3/4-x, 1/4-z'
 32 '1/4+y, 1/4+x, 3/4+z'
loop_
 _atom_type_symbol
 Cl
 Au
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
 Cl Cl 8 e 0 0.25 0.19 1
 Au Au 8 c 0 0 0 1


_exptl_crystal_colour                    ?
_exptl_crystal_density_meas              7.8
_exptl_crystal_density_diffrn            7.85
_cell_measurement_temperature            ?
_cell_measurement_radiation              'X-rays, Cu Ka'
_cell_measurement_reflns_used            ?
_diffrn_ambient_temperature              ?
_diffrn_measurement_device
'rotation and Weissenberg photographs'                                        
_diffrn_measurement_device_type          ?
_diffrn_radiation_type                   'X-rays, Cu Ka'
_diffrn_reflns_number                    ?
_exptl_absorpt_coefficient_mu            ?
_exptl_absorpt_correction_type           ?
_computing_structure_solution            'crystal chemical considerations'
_refine_ls_number_parameters             ?
_refine_ls_number_reflns                 ?
_refine_ls_R_factor_gt                   ?
_refine_ls_wR_factor_gt                  ?

# Published diffraction lines

loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_d_spacing
 _refln_intensity_meas
 1 0 1 5.34 8
 2 0 0 3.36 2
 1 1 2 3.21 2
 2 1 1 2.85 7
 2 0 2 2.66 8
 2 2 0 2.38 5
 3 0 1 2.17 5
 2 1 3 2.09 5.5
 3 2 1 1.828 5
 3 0 3 1.775 3
 4 0 0 1.684 5
 4 1 1 1.606 5
 3 2 3 1.57 3.5
 2 1 5 1.507 3
 4 2 2 1.422 5
 3 0 5 1.373 3
 5 0 1 1.331 5
 3 2 5 1.271 2
 5 2 1 1.237 3
 5 0 3 1.222 3
 4 4 0 1.19 3
 5 2 3 1.147 3
 6 1 1 1.099 3
 6 0 2 1.085 3
 3 3 6 1.066 3
 5 4 1 1.044 5
 6 1 3 1.035 3

# End of data set 541779

