Intrinsically low thermal conductivity in a p-type semiconductor SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub> structure.
Luo, Mengjia; Bu, Kejun; Zhang, Xian; Huang, Jian; Wang, Ruiqi; Huang, Fuqiang; Chemical communications (Cambridge, England) 56 (2020) 4356–4359; doi:10.1039/d0cc00035c

data_7126155
_publ_section_title
;
 Intrinsically low thermal conductivity in a p-type semiconductor
 SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub>
 structure.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4356
_journal_page_last               4359
_journal_paper_doi               10.1039/d0cc00035c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'Bi Cu O Se2, Sr'
_chemical_formula_sum            'Bi Cu O Se2 Sr'
_chemical_formula_weight         534.06
_chemical_name_systematic        SrOCuBiSe2
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_audit_update_record
;
2018-11-08 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.758(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6529(5)
_cell_length_b                   4.0559(3)
_cell_length_c                   9.1405(6)
_cell_measurement_reflns_used    2957
_cell_measurement_temperature    273.(2)
_cell_measurement_theta_max      27.4271
_cell_measurement_theta_min      2.4342
_cell_volume                     259.67(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 786)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3234
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         5.81
_exptl_absorpt_coefficient_mu    61.949
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_T_min  0.198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.830
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.037
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.232
_refine_diff_density_min         -2.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0444
_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^)+(0.0884P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                501
_reflns_number_total             516
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc00035c2.cif
_cod_data_source_block           SrOCuBiSe2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126155.cif.
;
_cod_database_code               7126155
_shelx_res_checksum              86490