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_4002066
_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 Co1.98 La'
_chemical_formula_weight         405.44
_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                   4.0444(3)
_cell_length_b                   4.0444(3)
_cell_length_c                   10.5200(7)
_cell_measurement_temperature    298(2)
_cell_measurement_wavelength     1.788970
_cell_volume                     172.08(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.788970
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017002
_pd_meas_2theta_range_max        129.99001
_pd_meas_2theta_range_min        10.10600
_pd_meas_number_of_points        7053
_pd_proc_2theta_range_inc        0.017002
_pd_proc_2theta_range_max        130.0198
_pd_proc_2theta_range_min        10.1358
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.7113
_pd_proc_ls_prof_wR_expected     1.8097
_pd_proc_ls_prof_wR_factor       4.9237
_pd_proc_wavelength              1.788970
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.72
_refine_ls_number_parameters     17
_refine_ls_number_reflns         90
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            20.7777
_cod_data_source_file            cm5029639_si_002.cif
_cod_data_source_block           LaCo1.98As2:
_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        172.076(19)
_cod_original_sg_symbol_H-M      'I 4/M M M'
_cod_database_code               4002066
_pd_proc_ls_prof_cr_factor       29.8963
_pd_proc_ls_prof_cwr_factor      21.3451
_pd_proc_ls_prof_cwr_expected    7.8453
_pd_proc_ls_prof_chi2            7.4025
_pd_proc_ls_prof_echi2           7.8882