Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure.
Panigrahi, Gopabandhu; Jana, Subhendu; Ishtiyak, Mohd; Narayanswamy, S.; Bhattacharjee, Pinaki P.; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai; Dalton transactions (Cambridge, England : 2003) 50 (2021) 6688–6701; doi:10.1039/d1dt00057h

data_7707076
_publ_section_title
;
 Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd,
 and Yb; x = Ln vacancy): syntheses, crystal structures, optical,
 resistivity, and electronic structure.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6688
_journal_page_last               6701
_journal_paper_doi               10.1039/d1dt00057h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         '0.5(Ba4 Mn4 Te10 Yb1.49)'
_chemical_formula_sum            'Ba2 Mn2 Te5 Yb0.7448'
_chemical_formula_weight         1151.47
_chemical_name_systematic
'Barium ytterbium manganese telluride (2-0.7448-2-5)'
_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
;
2021-02-17 deposited with the CCDC.	2021-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.92(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.266(3)
_cell_length_b                   4.5784(9)
_cell_length_c                   10.664(2)
_cell_measurement_reflns_used    6830
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.78
_cell_volume                     664.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT, SADABS and XPREP'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_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  0.0509
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7087
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.019
_diffrn_reflns_theta_min         2.142
_diffrn_source                   'fine-focus seald tube'
_exptl_absorpt_coefficient_mu    23.578
_exptl_absorpt_correction_T_max  0.4373
_exptl_absorpt_correction_T_min  0.1045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'multi-scan (SADABS" Sheldrick, 2016/2)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    5.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.068
_exptl_crystal_size_min          0.063
_refine_diff_density_max         3.926
_refine_diff_density_min         -1.756
_refine_diff_density_rms         0.280
_refine_ls_extinction_coef       0.00196(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         1278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0107P)^2^+13.0832P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0673
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1251
_reflns_number_total             1278
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00057h2.cif
_cod_data_source_block           Ba2Yb3by4Mn2Te5
_cod_depositor_comments
'Adding full bibliography for 7707075--7707077.cif.'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7707076
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              73905