Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates
de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V.; Acta Crystallographica Section B 52 (1996) 770–776; doi:10.1107/S0108768196001656

data_2101610
_publ_section_title
;
 Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed
 alkali disilicates
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              770
_journal_page_last               776
_journal_paper_doi               10.1107/S0108768196001656
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'K Li O5 Si2'
_chemical_formula_weight         182.21
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                90.0
_cell_angle_beta                 93.477(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.9803(6)
_cell_length_b                   4.7996(6)
_cell_length_c                   8.1599(11)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    150
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10
_cell_volume                     233.78(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4T/RA'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2376
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60min
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.57
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.5885(6)
_exptl_crystal_description       plate
_exptl_crystal_F_000             180
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.50
_refine_ls_abs_structure_Flack   0.00(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.23
_refine_ls_hydrogen_treatment    '(no H atoms)'
_refine_ls_number_parameters     82
_refine_ls_number_reflns         1064
_refine_ls_R_factor_obs          0.0331
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F~o~^2^) +(0.0220P)^2^ + 0.1823P],
where P = [max(F~o~^2^, 0) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0864
_reflns_number_observed          1023
_reflns_number_total             1064
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            na0075.cif
_cod_data_source_block           na0075a
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'K1 Li1 O5 Si2'
_cod_database_code               2101610