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# I-V              # VI2                                           #  558098 #
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data_558098
_audit_creation_date                     2024-10-08
_audit_creation_method

# Entry summary

_chemical_formula_structural             'V I~2~'
_chemical_formula_sum                    'I2 V'
_chemical_name_mineral                   ?
_chemical_compound_source                ?
_chemical_name_structure_type            CdI₂,hP3,164
_chemical_formula_weight                 304.8

# Bibliographic data

_publ_section_title
;
Study of Frustration Effects in Two-Dimensional Triangular Lattice Antiferromagnets - Neutron Powder Diffraction Study of VX₂, X= Cl, Br and I
;
_journal_coden_ASTM                      JUPSAU
_journal_name_full                       'J. Phys. Soc. Jpn.'
_journal_year                            1983
_journal_volume                          52
_journal_page_first                      1814
_journal_page_last                       1824
_journal_language                        English
loop_
 _publ_author_name
 _publ_author_address
'Hirakawa K.'
;
Tokyo University
Institute of Solid State Physics
Minato / Tokyo
Japan
;
'Kadowaki H.'
;
Tokyo University
Institute of Solid State Physics
Minato / Tokyo
Japan
;
'Ubukoshi K.'
;
Tokyo University
Institute of Solid State Physics
Minato / Tokyo
Japan
;

# Standardized crystallographic data

_cell_length_a                           4.029
_cell_length_b                           4.029
_cell_length_c                           6.714
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             94.4
_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
 I
 V
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
 I I 2 d 0.333333 0.666667 0.25 1
 V V 1 a 0 0 0 1


_exptl_crystal_colour                    ?
_exptl_crystal_density_meas              ?
_exptl_crystal_density_diffrn            5.36
_cell_measurement_temperature            4.2
_cell_measurement_radiation              neutrons
_cell_measurement_wavelength             1.638
_pd_proc_wavelength                      1.638
_cell_measurement_reflns_used            ?
_diffrn_ambient_temperature              4.2
_diffrn_measurement_device               'automatic diffractometer'
_diffrn_measurement_device_type
'Japan, Tokai, Japan Atomic Energy Research Institute, JRR-2 reactor'         
_diffrn_radiation_type                   neutrons
_diffrn_radiation_wavelength             1.638
_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
 1 0 0 3.489 33
 0 0 2 3.357 23
 1 0 1 3.104 100
 1 0 2 2.419 20

# End of data set 558098

