Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong; Chemistry of Materials 26 (2014) 6221–; doi:10.1021/cm5029639

data_4002065
_publ_section_title
;
 Tunable Cobalt Vacancies and Related Properties in LaCoxAs2
;
_journal_issue                   21
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6221
_journal_paper_doi               10.1021/cm5029639
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'As2 Co1.72 La'
_chemical_formula_weight         390.11
_chemical_name_systematic        ' ?'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   4.05128(15)
_cell_length_b                   4.05128(15)
_cell_length_c                   10.3625(6)
_cell_measurement_temperature    298(2)
_cell_measurement_wavelength     1.539800
_cell_volume                     170.078(13)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.539800
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050015
_pd_meas_2theta_range_max        167.75000
_pd_meas_2theta_range_min        3.30000
_pd_meas_number_of_points        3290
_pd_proc_2theta_range_inc        0.050015
_pd_proc_2theta_range_max        167.7840
_pd_proc_2theta_range_min        3.3340
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        6.1099
_pd_proc_ls_prof_wR_expected     4.5016
_pd_proc_ls_prof_wR_factor       7.6636
_pd_proc_wavelength              1.539800
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.70
_refine_ls_number_parameters     14
_refine_ls_number_reflns         79
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            9.3461
_cod_data_source_file            cm5029639_si_003.cif
_cod_data_source_block           LaCo1.72As2:
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4002065--4002071.cif.
;
_cod_original_cell_volume        170.079(13)
_cod_original_sg_symbol_H-M      'I 4/M M M'
_cod_database_code               4002065
_pd_proc_ls_prof_cr_factor       23.0688
_pd_proc_ls_prof_cwr_factor      20.6205
_pd_proc_ls_prof_cwr_expected    12.1126
_pd_proc_ls_prof_chi2            2.8982
_pd_proc_ls_prof_echi2           2.8982