Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem
Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg; Inorganic Chemistry 51 (2012) 9181–9191; doi:10.1021/ic300001s

data_4330136
_publ_contact_author_address
;Centre for Materials Science and Nanotechnology, 
Department of Chemistry,
University of Oslo
P.O.Box 1033, Blindern,
N-0315 Oslo, 
Norway
;
_publ_contact_author_email       helmer.fjellvag@kjemi.uio.no
_publ_contact_author_name        'Professor H. Fjellv\%ag'
_publ_section_title
;
 Tuning of Water and Hydroxide Content of Intercalated
 Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-\dSystem
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9181
_journal_page_last               9191
_journal_paper_doi               10.1021/ic300001s
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Co3 Fe3 H12 O24 Pr2 Sr6'
_chemical_formula_weight         1535.86
_chemical_name_systematic        ' PrSr3Co1.5Fe1.5O8(OH)2.2H2O'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 88.809(6)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   3.8442(3)
_cell_length_b                   3.8492(3)
_cell_length_c                   35.811(3)
_cell_measurement_temperature    25
_cell_volume                     529.78(7)
_computing_structure_refinement  FULLPROF
_diffrn_detector_type            Mar345
_diffrn_measurement_device_type  Image-plate
_diffrn_radiation_monochromator  Si
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70417
_diffrn_source                   ESRF
_pd_char_colour                  black
_pd_char_particle_morphology     powder
_pd_instr_location
' SNBL, station BM 01A, ESRF Grenoble, France'
_pd_meas_2theta_range_inc        0.022727
_pd_meas_2theta_range_max        36.98864
_pd_meas_2theta_range_min        0.14764
_pd_meas_number_of_points        1623
_pd_proc_2theta_range_inc        0.022727
_pd_proc_2theta_range_max        37.0002
_pd_proc_2theta_range_min        0.1592
_pd_proc_info_excluded_regions
;
0 to 1.85 due to beam stop
35.5 37.00 due to edge effects from the detector
;
_pd_proc_ls_background_function  User-Defined
_pd_proc_ls_pref_orient_corr     ' none'
_pd_proc_ls_profile_function     TCH-PseudoVoigt
_pd_proc_ls_prof_R_factor        1.7499
_pd_proc_ls_prof_wR_expected     3.3878
_pd_proc_ls_prof_wR_factor       2.5504
_pd_proc_wavelength              0.704170
_pd_spec_mounting                ' Quartz glass capillary.'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_number_parameters     16
_refine_ls_number_reflns         279
_refine_ls_number_restraints     7
_refine_ls_R_I_factor            13.8003
_cod_data_source_file            ic300001s_si_002.cif
_cod_data_source_block           RP3-Hydrate
_cod_original_formula_sum        Co3Fe3H12O24Pr2Sr6
_cod_database_code               4330136
_pd_proc_ls_prof_cr_factor       19.4055
_pd_proc_ls_prof_cwr_factor      13.6587
_pd_proc_ls_prof_cwr_expected    18.1436
_pd_proc_ls_prof_chi2            0.5667
_pd_proc_ls_prof_echi2           0.6073