X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.
Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.; Inorganic chemistry 54 (2015) 4556–4564; doi:10.1021/acs.inorgchem.5b00462

data_4343240
_publ_section_title
;
 X-ray Diffraction, M\"ossbauer Spectroscopy, Magnetic Susceptibility, and
 Specific Heat Investigations of Na4NpO5 and Na5NpO6.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4556
_journal_page_last               4564
_journal_paper_doi               10.1021/acs.inorgchem.5b00462
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         ' Np O5, 4(Na)'
_chemical_formula_structural     ' Na4 Np O5'
_chemical_formula_sum            'Na4 Np O5'
_chemical_formula_weight         409.01
_chemical_name_common            'Sodium neptunate'
_chemical_name_systematic        ' Na4NpO5'
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   7.53534(8)
_cell_length_b                   7.53534(8)
_cell_length_c                   4.61590(6)
_cell_measurement_temperature    298
_cell_volume                     262.097(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector                 'LinxEye position sensitive detector'
_diffrn_detector_type            'LinxEye position sensitive detector'
_diffrn_measurement_device_type  'Bruker D8 Advance X-ray diffractometer'
_diffrn_measurement_method       X-Ray
_diffrn_radiation_monochromator  Ge[111]
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540598
_diffrn_source                   'Copper X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    98.498
_exptl_crystal_density_diffrn    5.183
_exptl_crystal_F_000             354.0
_pd_instr_location
'  Institute for Transuranium Elements, Bruker D8 diffractometer'
_pd_meas_2theta_range_inc        0.019729
_pd_meas_2theta_range_max        120.02919
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        5578
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.019729
_pd_proc_2theta_range_max        120.0290
_pd_proc_2theta_range_min        9.9998
_pd_proc_ls_prof_R_factor        6.0439
_pd_proc_ls_prof_wR_expected     2.4007
_pd_proc_ls_prof_wR_factor       9.5590
_pd_proc_wavelength              1.540598
_refine_ls_goodness_of_fit_all   3.98178
_refine_ls_number_parameters     13
_refine_ls_number_reflns         120
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.5570
_cod_data_source_file            ic5b00462_si_003.cif
_cod_data_source_block           Na4NpO5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_Hall     '-I 4 '
_cod_original_sg_symbol_H-M      'I 4/m '
_cod_database_code               4343240
_pd_proc_ls_prof_cr_factor       16.4519
_pd_proc_ls_prof_cwr_factor      17.7264
_pd_proc_ls_prof_cwr_expected    4.4519
_pd_proc_ls_prof_chi2            15.8545
_pd_proc_ls_prof_echi2           18.6412