A new layered triangular antiferromagnet Li4FeSbO6: spin order, field-induced transitions and anomalous critical behavior.
Zvereva, E. A.; Savelieva, O. A.; Titov, Ya D.; Evstigneeva, M. A.; Nalbandyan, V. B.; Kao, C. N.; Lin, J.-Y.; Presniakov, I. A.; Sobolev, A. V.; Ibragimov, S. A.; Abdel-Hafiez, M; Krupskaya, Yu; Jähne, C; Tan, G.; Klingeler, R.; Büchner, B; Vasiliev, A. N.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 1550–1566; doi:10.1039/c2dt31938a

data_7022166
_publ_section_title
;
 A new layered triangular antiferromagnet Li4FeSbO6: spin order,
 field-induced transitions and anomalous critical behavior.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1550
_journal_page_last               1566
_journal_paper_doi               10.1039/c2dt31938a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'Fe Li4 O6 Sb'
_chemical_formula_weight         301.35
_chemical_name_common            Li4FeSbO6
_chemical_name_systematic        ' ?'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2012-03-21T19:13
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2012-03-21T19:13 Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 109.490(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.1706(5)
_cell_length_b                   8.9382(5)
_cell_length_c                   5.16350(24)
_cell_volume                     224.96(3)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.7
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
; GSAS Absorption/surface roughness correction: function number 0
No correction is applied.
;
_pd_block_id                     2012-03-21T19:13|LI4FE||
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        100.0
_pd_meas_2theta_range_min        6.02
_pd_meas_number_of_points        4700
_pd_phase_name                   Li4FeSbO6
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        100.0
_pd_proc_2theta_range_min        6.02
_pd_proc_info_datetime           2012-03-21T19:13:06
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
; GSAS Background function number 8 with 8 terms.
Reciprocal interpolation
1: 300.659 2: 304.701 3: 410.037 4: 461.332
5: 240.262 6: 150.632 7: 121.024 8: 68.8931
;
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_pref_orient_corr
; March-Dollase
AXIS 1 Ratio= 1.04901 h= 0.000 k= 0.000 l= 1.000
Prefered orientation correction range: Min= 0.86628, Max= 1.07441
;
_pd_proc_ls_profile_function
;
CW Profile function number 2 with 18 terms
Profile coefficients for Simpson's rule integration of pseudovoigt function
C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
Peak tails are ignored where the intensity is below 0.0100 times the peak
Aniso. broadening axis 0.0 0.0 1.0
;
_pd_proc_ls_prof_R_factor        0.1035
_pd_proc_ls_prof_wR_expected     0.0580
_pd_proc_ls_prof_wR_factor       0.1458
_pd_proc_number_of_points        4700
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.52
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.14085
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.015
_reflns_d_resolution_low         4.868
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              4
_reflns_limit_l_min              -5
_reflns_number_total             250
_cod_data_source_file            c2dt31938a.txt
_cod_data_source_block           LI4FE_publ
_cod_original_cell_volume        224.961(15)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7022166
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000