Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K
Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio; Acta Crystallographica Section B 56 (2000) 607–617; doi:10.1107/S0108768100003219

data_2102090
_publ_section_title
;
 Analysis of LiKSO~4~ crystals in the temperature range from 573 to
 943K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              607
_journal_page_last               617
_journal_paper_doi               10.1107/S0108768100003219
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'K Li O4 S'
_chemical_formula_weight         142.1
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                120.00(3)
_cell_formula_units_Z            2
_cell_length_a                   5.2020(10)
_cell_length_b                   5.2020(10)
_cell_length_c                   8.647(2)
_cell_measurement_temperature    573
_cell_volume                     202.65(9)
_diffrn_measurement_device       Stoe
_diffrn_measurement_device_type  Image-Plate
_diffrn_measurement_method       Oscillating
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0285
_diffrn_reflns_av_sigmaI/netI    .0051
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2231
_diffrn_reflns_theta_max         30.24
_diffrn_reflns_theta_min         4.52
_exptl_absorpt_coefficient_mu    1.692
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.328
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             140
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         .18
_refine_diff_density_min         -.19
_refine_ls_extinction_coef       1.4(2)
_refine_ls_extinction_method     'B-C type 1 Lorentzian isotropic'
_refine_ls_goodness_of_fit_all   2.24
_refine_ls_goodness_of_fit_obs   2.35
_refine_ls_number_parameters     41
_refine_ls_number_reflns         394
_refine_ls_R_factor_all          .0223
_refine_ls_R_factor_obs          .0202
_refine_ls_shift/esd_max         .0005
_refine_ls_shift/esd_mean        .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         .0264
_refine_ls_wR_factor_obs         .0263
_reflns_number_observed          363
_reflns_number_total             396
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ca0003.cif
_cod_data_source_block           573K
_cod_original_formula_sum        'Li1 O4 S1 K1'
_cod_database_code               2102090