Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo; Journal of Applied Crystallography 43 (2010) 699–709; doi:10.1107/S0021889810019163

data_2300292
_publ_section_title
;
 Temperature-induced structure and microstructure evolution of
 nanostructured Ni~0.9~Zn~0.1~O
;
_journal_coeditor_code           CG5128
_journal_issue                   4
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              699
_journal_page_last               709
_journal_paper_doi               10.1107/S0021889810019163
_journal_volume                  43
_journal_year                    2010
_chemical_formula_moiety         'O Ni0.9 Zn0.1'
_chemical_formula_sum            'Ni0.9 O Zn0.1'
_chemical_formula_weight         75.36
_chemical_name_common            'nickel zinc oxide'
_chemical_name_systematic
;
?
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            3
_cell_length_a                   2.95546(5)
_cell_length_b                   2.95546(5)
_cell_length_c                   7.2665(3)
_cell_measurement_temperature    293
_cell_volume                     54.968(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'STOE Stadi MP transmission'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'STOE STADI MP'
_pd_block_diffractogram_id       NiO9Zn01O-500C-3h_R-3m
_pd_char_colour                  grey
_pd_instr_location
;
?
;
_pd_meas_2theta_range_inc        0.025005
_pd_meas_2theta_range_max        129.97501
_pd_meas_2theta_range_min        3.15000
_pd_meas_number_of_points        5074
_pd_proc_2theta_range_inc        0.025005
_pd_proc_2theta_range_max        129.9750
_pd_proc_2theta_range_min        3.1500
_pd_proc_ls_pref_orient_corr
;
?
;
_pd_proc_ls_prof_R_factor        2.7075
_pd_proc_ls_prof_wR_expected     2.4132
_pd_proc_ls_prof_wR_factor       3.6362
_pd_proc_wavelength              1.540530
_pd_spec_mounting
;
?
;
_refine_ls_number_parameters     7
_refine_ls_number_reflns         19
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.2716
_refine_ls_shift/su_max          0.05
_cod_data_source_file            cg5128.cif
_cod_data_source_block           NiZnO_R-3m_500_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        54.967(3)
_cod_original_sg_symbol_H-M      'R -3 M'
_cod_database_code               2300292
_pd_proc_ls_prof_cr_factor       16.2910
_pd_proc_ls_prof_cwr_factor      11.1257
_pd_proc_ls_prof_cwr_expected    7.3836
_pd_proc_ls_prof_chi2            2.2705
_pd_proc_ls_prof_echi2           2.6653