Synthesis, crystal structure and lithium ion conductivity of LiMgFSO4
Sebastian, Litty; Gopalakrishnan, Jagannatha; Piffard, Yves; Journal of Materials Chemistry 12 (2002) 374–; doi:10.1039/b108289m

data_7204257
_publ_section_title
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 Synthesis, crystal structure and lithium ion conductivity of LiMgFSO4
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_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              374
_journal_paper_doi               10.1039/b108289m
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'F Li Mg O4 S'
_chemical_formula_weight         146.3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.68(1)
_cell_angle_beta                 107.40(1)
_cell_angle_gamma                97.50(1)
_cell_formula_units_Z            2
_cell_length_a                   5.1623(7)
_cell_length_b                   5.388(1)
_cell_length_c                   7.073(1)
_cell_volume                     174.72(5)
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_sigmaI/netI    0.1467
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            1838
_diffrn_reflns_theta_max         34.96
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_meas      2.78
_exptl_crystal_F_000             144
_refine_diff_density_max         2.23
_refine_diff_density_min         -1.98
_refine_ls_extinction_coef       0.01(1)
_refine_ls_extinction_method     'B-C type 1 Lorentzian isotropic'
_refine_ls_goodness_of_fit_all   1.74
_refine_ls_goodness_of_fit_obs   1.29
_refine_ls_number_parameters     75
_refine_ls_number_reflns         1537
_refine_ls_R_factor_all          0.1552
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/esd_max         0.0001
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0565
_refine_ls_wR_factor_gt          0.0515
_reflns_limit_h_max              7
_reflns_limit_h_min              -8
_reflns_limit_k_max              8
_reflns_limit_k_min              -8
_reflns_limit_l_max              11
_reflns_limit_l_min              0
_reflns_number_observed          753
_reflns_number_total             1537
_reflns_observed_criterion       3
_cod_data_source_file            b108289m.txt
_cod_data_source_block           LiMgSO4F
_cod_depositor_comments
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The following automatic conversions were performed:
'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'Li1 O4 F1 Mg1 S1'
_cod_database_code               7204257