Top-seeded solution growth and characterization of β-Ga2O3
Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang; CrystEngComm 27 (2025) 814–819; doi:10.1039/D4CE00678J

data_7249717
_publ_section_title
;
 Top-seeded solution growth and characterization of \b-Ga2O3
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              814
_journal_page_last               819
_journal_paper_doi               10.1039/D4CE00678J
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'Ga4 O6 Te0'
_chemical_formula_weight         374.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-07-07 deposited with the CCDC.	2024-12-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.866(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2470(10)
_cell_length_b                   3.0440(2)
_cell_length_c                   5.8136(5)
_cell_measurement_reflns_used    1030
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      32.36
_cell_measurement_theta_min      4.34
_cell_volume                     210.41(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1131
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.366
_diffrn_reflns_theta_min         3.427
_exptl_absorpt_coefficient_mu    25.279
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    5.917
_exptl_crystal_description       block
_exptl_crystal_F_000             344
_refine_diff_density_max         0.781
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         258
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0338P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0542
_reflns_Friedel_coverage         0.000
_reflns_number_gt                231
_reflns_number_total             258
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ce00678j2.cif
_cod_data_source_block           mo_G2_0m_a
_cod_depositor_comments          'Adding full bibliography for 7249717.cif.'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7249717
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              69686