Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln = Pr, Nd, Sm, Gd, and Tb)‒tuning of anisotropic long-range magnetic order as a function of Ln.
Phelan, W. Adam; Nguyen, Giang V.; Karki, Amar B.; Young, David P.; Chan, Julia Y.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6403–6409; doi:10.1039/c0dt00058b

data_7025931
_publ_section_title
;
 Synthesis, structure, magnetic and transport properties of LnFeSb3 (Ln =
 Pr, Nd, Sm, Gd, and Tb)--tuning of anisotropic long-range magnetic order
 as a function of Ln.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6403
_journal_page_last               6409
_journal_paper_doi               10.1039/c0dt00058b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'Pr Fe Sb3'
_chemical_formula_sum            'Fe Pr Sb3'
_chemical_formula_weight         562.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.7490(2)
_cell_length_b                   6.1730(4)
_cell_length_c                   12.1590(5)
_cell_measurement_reflns_used    1402
_cell_measurement_temperature    298(5)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     956.91(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(5)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2532
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    29.470
_exptl_absorpt_correction_T_max  0.5262
_exptl_absorpt_correction_T_min  0.1566
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.219
_refine_diff_density_min         -2.824
_refine_diff_density_rms         0.651
_refine_ls_extinction_coef       0.0051(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.248
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_reflns         1433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0458P)^2^+16.7696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                1383
_reflns_number_total             1433
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0dt00058b.txt
_cod_data_source_block           PrFeSb3
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P b c m '
_cod_database_code               7025931