High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3
Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.; Journal of Solid State Chemistry 191 (2012) 167–174; doi:10.1016/j.jssc.2012.03.004

data_1562977
_publ_section_title
;
 High-pressure stability relations, crystal structures, and physical
 properties of perovskite and post-perovskite of NaNiF3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              167
_journal_page_last               174
_journal_paper_doi               10.1016/j.jssc.2012.03.004
_journal_volume                  191
_journal_year                    2012
_chemical_formula_sum            'F3 Na Ni'
_chemical_formula_weight         138.678
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.02605(3)
_cell_length_b                   10.05790(9)
_cell_length_c                   7.40138(6)
_cell_volume                     225.266(4)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_ambient_temperature      300
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.519730
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    3.5186
_exptl_crystal_density_diffrn    4.0890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             264.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  green
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        74.0000
_pd_meas_2theta_range_min        3.0000
_pd_meas_number_of_points        7101
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        74.0000
_pd_proc_2theta_range_min        3.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.02885
_pd_proc_ls_prof_wR_expected     0.03754
_pd_proc_ls_prof_wR_factor       0.04054
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.0800
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     50
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01736
_refine_ls_R_Fsqd_factor         0.01736
_refine_ls_R_I_factor            0.02422
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            JSSC-2012-191-167.cif
_cod_data_source_block           NaNiF3_pPv
_cod_original_cell_volume        225.266(3)
_cod_database_code               1562977