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_2300285
_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_absolute_configuration unk
_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           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   4.18419(3)
_cell_length_b                   4.18419(3)
_cell_length_c                   4.18419(3)
_cell_measurement_temperature    293
_cell_volume                     73.2545(9)
_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_id                     Zn01Ni09O-500C-24h_Fm-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        4.6799
_pd_proc_ls_prof_wR_expected     4.0255
_pd_proc_ls_prof_wR_factor       6.2105
_pd_proc_wavelength              1.540530
_pd_spec_mounting
;
?
;
_refine_ls_number_parameters     27
_refine_ls_number_reflns         9
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            5.2716
_refine_ls_shift/su_max          0.05
_cod_data_source_file            cg5128.cif
_cod_data_source_block           NiZnO_Fm-3m_500_24
_cod_depositor_comments
;

 All _geom_bond_distance values in the corresponding loop were given
 as "2.0920961(1", i.e. without a closing brace. The closing brace was
 reintroduced to match CIF number syntax; it is not clear, however,
 that the standard uncertainty is indeed (1) in teh last digit.

 Saulius Gra\<zulis
 2010.12.16

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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        73.2546(9)
_cod_database_code               2300285
_pd_proc_ls_prof_cr_factor       22.3972
_pd_proc_ls_prof_cwr_factor      16.0723
_pd_proc_ls_prof_cwr_expected    10.4177
_pd_proc_ls_prof_chi2            2.3802
_pd_proc_ls_prof_echi2           2.8900