Structure of a new siliconiobate K~6.5~Ca~0.75~Nb~14~Si~4~O~47~
Borel, M. M.; Chardon, J.; Grandin, A.; Leclaire, A.; Raveau, B.; Acta Crystallographica Section C 49 (1993) 570–571; doi:10.1107/S0108270192010254

data_2001899
_publ_section_title
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 Structure of a new siliconiobate K~6.5~Ca~0.75~Nb~14~Si~4~O~47~
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              570
_journal_page_last               571
_journal_paper_doi               10.1107/S0108270192010254
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ca K7 Nb14 O47 Si4'
_chemical_formula_weight         2449.22
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   9.0460(10)
_cell_length_b                   9.0460(10)
_cell_length_c                   27.8830(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      22
_cell_measurement_theta_min      18
_cell_volume                     1976.0(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       Bisect
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6180
_diffrn_reflns_theta_max         45
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.765
_exptl_absorpt_correction_T_max  0.8601
_exptl_absorpt_correction_T_min  0.7359
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    4.11
_exptl_crystal_description       Stick
_exptl_crystal_size_max          0.1136
_exptl_crystal_size_mid          0.0727
_exptl_crystal_size_min          0.0318
_refine_diff_density_max         1.8
_refine_diff_density_min         -1.1
_refine_ls_extinction_coef       4.62E-8
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.004
_refine_ls_number_parameters     71
_refine_ls_number_reflns         1175
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = Fsin(\q/\l)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.027
_reflns_number_observed          1175
_reflns_number_total             6180
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1008.cif
_cod_data_source_block           pa1008_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = Fsin(\q/\l)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = Fsin(\q/\l)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1976.2(4)
_cod_original_formula_sum        'Ca1 K7 Nb14 O47 Si4'
_cod_database_code               2001899