NaScSi~2~O~6~
Ohashi, H.; Osawa, T.; Sato, A.; Acta Crystallographica Section C 50 (1994) 838–840; doi:10.1107/S010827019300962X

data_2009802
_publ_section_title
;
 NaScSi~2~O~6~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              838
_journal_page_last               840
_journal_paper_doi               10.1107/S010827019300962X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Na1 Sc1 Si2 O6'
_chemical_formula_sum            'Na O6 Sc Si2'
_chemical_formula_weight         220.11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 107.175(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.8372(10)
_cell_length_b                   9.0550(5)
_cell_length_c                   5.3488(6)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      26.4
_cell_volume                     455.20(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1047
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        -1.9
_diffrn_standards_interval_count '100 (orientation)'
_diffrn_standards_interval_time  '240 (intensity)'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.18
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.21
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.4
_refine_diff_density_min         -0.4
_refine_ls_extinction_coef       1.34E-6
_refine_ls_extinction_method     'isotropic secondary extinction'
_refine_ls_goodness_of_fit_obs   1.3
_refine_ls_number_parameters     48
_refine_ls_number_reflns         895
_refine_ls_R_factor_obs          0.018
_refine_ls_shift/esd_max         <0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          895
_reflns_number_total             1047
_reflns_observed_criterion       I>1.5\s(I)
_cod_data_source_file            oh1046.cif
_cod_data_source_block           oh1046_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        455.21(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Na1 O6 Sc1 Si2'
_cod_database_code               2009802