ReGaGe2: Intermetallic Compound with Semiconducting Properties and Localized Bonding
Likhanov, Maxim; Khalaniya, Roman A.; Verchenko, Valeriy; Gippius, Andrei; Zhurenko, Sergei; Tkachev, Alexey V.; Fazlizhanova, Dina I.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Chemical Communications  (2019) –; doi:10.1039/C9CC02563D

data_7123322
_publ_section_title
;
 ReGaGe2: Intermetallic Compound with Semiconducting Properties and
 Localized Bonding
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02563D
_journal_year                    2019
_chemical_formula_moiety         'Re Ga Ge2'
_chemical_formula_sum            'Ga Ge2 Re'
_chemical_formula_weight         401.1
_chemical_name_systematic        ReGaGe2
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_audit_update_record
;
2019-02-13 deposited with the CCDC.    2019-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.26861(4)
_cell_length_b                   9.17461(12)
_cell_length_c                   8.53206(10)
_cell_measurement_temperature    293
_cell_volume                     255.861(5)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       Bruker
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.541871
_exptl_absorpt_coefficient_mu    126.272
_exptl_crystal_density_diffrn    10.4127
_exptl_crystal_F_000             1796
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        120.001
_pd_meas_2theta_range_min        8.000
_pd_meas_number_of_points        7281
_pd_proc_2theta_range_max        120.001
_pd_proc_2theta_range_min        8
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1055
_pd_proc_ls_prof_wR_expected     0.0272
_pd_proc_ls_prof_wR_factor       0.1478
_refine_ls_goodness_of_fit_all   1.63
_refine_ls_number_constraints    1
_refine_ls_number_parameters     32
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.0482
_refine_ls_shift/su_mean         0.0178
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0678
_refine_ls_wR_factor_gt          0.0676
_cod_data_source_file            c9cc02563d2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_formula_sum        'Ga1 Ge2 Re1'
_cod_database_code               7123322