Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh
Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J.; Chemistry of Materials 31 (2019) 2164–; doi:10.1021/acs.chemmater.9b00258

data_4002978
_publ_section_title
;
 Importance of Specific Heat Characterization when Reporting New
 Superconductors: An Example of Superconductivity in LiGa2Rh
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2164
_journal_paper_doi               10.1021/acs.chemmater.9b00258
_journal_volume                  31
_journal_year                    2019
_chemical_formula_sum            'Ga2 Li Rh'
_chemical_formula_weight         249.29
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9997(8)
_cell_length_b                   5.9997(8)
_cell_length_c                   5.9997(8)
_cell_measurement_temperature    296(2)
_cell_volume                     215.97(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0151
_diffrn_reflns_av_unetI/netI     0.0087
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            261
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.878
_diffrn_reflns_theta_min         5.888
_exptl_absorpt_coefficient_mu    31.842
_exptl_crystal_density_diffrn    7.667
_exptl_crystal_F_000             440
_refine_diff_density_max         1.262
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       0.0098(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.416
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     5
_refine_ls_number_reflns         38
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.416
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0205P)^2^+4.1010P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0510
_reflns_Friedel_coverage         0.000
_reflns_number_gt                38
_reflns_number_total             38
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm9b00258_si_001.cif
_cod_data_source_block           MM_LizC_1246_LiGa2Rh_0m
_cod_original_cell_volume        215.97(9)
_cod_database_code               4002978
_shelxl_version_number           2013-4
_shelx_res_checksum              77651
_shelx_hkl_checksum              58894