Structure of Ba~0.84~Rb~3~Nb~8~P~5~O~34~
Gueho, C.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.; Acta Crystallographica Section C 48 (1992) 2066–2067; doi:10.1107/S0108270192006784

data_2016891
_publ_section_title
;
 Structure of Ba~0.84~Rb~3~Nb~8~P~5~O~34~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2066
_journal_page_last               2067
_journal_paper_doi               10.1107/S0108270192006784
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba0.84 Nb8 O34 P5 Rb3'
_chemical_formula_weight         1814
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2'
_symmetry_space_group_name_H-M   'P -4 m 2'
_atom_type_scat_source           'International Tables Vol IV'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   10.6604(8)
_cell_length_b                   10.6604(8)
_cell_length_c                   6.4434(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      25
_cell_measurement_theta_min      18
_cell_volume                     732.20(10)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'Bisecting geometry with \w--4/3\q'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3414
_diffrn_reflns_theta_max         45
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.2
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.11
_exptl_crystal_description       Rod
_exptl_crystal_size_max          0.103
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.026
_refine_diff_density_max         2.7
_refine_ls_goodness_of_fit_obs   1.009
_refine_ls_number_parameters     70
_refine_ls_number_reflns         975
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = F sin(\q/\l)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          975
_reflns_number_total             3414
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1000.cif
_cod_data_source_block           pa1000_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Ba0.84 Rb3 Nb8 P5 O34'
_cod_database_code               2016891
_cod_duplicate_entry 1001535