A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4
Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin; CrystEngComm 19 (2017) 1620–; doi:10.1039/C7CE00025A

data_7227703
_publ_section_title
;
 A promising ultrafast pulse laser crystal with a disordered structure:
 Yb3+:Sr3Gd2(BO3)4
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1620
_journal_paper_doi               10.1039/C7CE00025A
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'B16 Gd7.5 O48 Sr12 Yb0.5'
_chemical_formula_weight         3258.36
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-03 deposited with the CCDC.
2017-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.3859(5)
_cell_length_b                   15.9445(12)
_cell_length_c                   8.7003(6)
_cell_measurement_reflns_used    1806
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4096
_cell_measurement_theta_min      3.4398
_cell_volume                     1024.59(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3854
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.977
_diffrn_reflns_theta_max         24.977
_diffrn_reflns_theta_min         3.619
_exptl_absorpt_coefficient_mu    28.684
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.09920
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.281
_exptl_crystal_description       block
_exptl_crystal_F_000             1435
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1800
_exptl_crystal_size_min          0.1800
_refine_diff_density_max         2.871
_refine_diff_density_min         -2.963
_refine_diff_density_rms         0.378
_refine_ls_extinction_coef       0.0118(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         940
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0434
_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^)+(0.0642P)^2^+8.2246P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1160
_reflns_Friedel_coverage         0.000
_reflns_number_gt                837
_reflns_number_total             940
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ce00025a1.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7227703.cif.'
_cod_original_formula_sum        'B16 Gd7.50 O48 Sr12 Yb0.50'
_cod_database_code               7227703
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              66808