Selective Metal Exsolution in BaFe2-yMy(PO4)2 (M = Co(2+), Ni(2+)) Solid Solutions.
Blazquez Alcover, Ignacio; Daviero-Minaud, Sylvie; David, Rénald; Filimonov, Dmitry; Huvé, Marielle; Attfield, J. Paul; Kabbour, Houria; Mentré, Olivier; Inorganic chemistry 54 (2015) 8733–8743; doi:10.1021/acs.inorgchem.5b01360

data_4344078
_publ_section_title
;
 Selective Metal Exsolution in BaFe2-yMy(PO4)2 (M = Co(2+), Ni(2+)) Solid
 Solutions.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8733
_journal_page_last               8743
_journal_paper_doi               10.1021/acs.inorgchem.5b01360
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Ba Co Fe0.667 O8 P2'
_chemical_formula_weight         423.5
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.606(3)
_cell_angle_beta                 99.558(3)
_cell_angle_gamma                120.013(3)
_cell_formula_units_Z            3
_cell_length_a                   8.3313(4)
_cell_length_b                   8.3316(4)
_cell_length_c                   8.3598(4)
_cell_measurement_temperature    293
_cell_volume                     473.96(4)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.83
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_unetI/netI     0.0775
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7624
_diffrn_reflns_theta_full        29.87
_diffrn_reflns_theta_max         34.69
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    10.803
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6019
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    4.4509
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             583
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.37
_refine_diff_density_min         -2.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.82
_refine_ls_goodness_of_fit_ref   3.93
_refine_ls_number_constraints    12
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1676
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.0212
_refine_ls_shift/su_mean         0.0033
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                1185
_reflns_number_total             1676
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic5b01360_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 4344078.cif.
;
_cod_original_formula_sum        'Ba1 Co1 Fe0.667 O8 P2'
_cod_database_code               4344078