β-K~2~SO~4~-Type Isomorphs: Prediction of Structures and Refinement of Rb~2~CrO~4~
Aleksovska, S.; Nyburg, S. C.; Pejov, Lj.; Petrusevski, V. M.; Acta Crystallographica Section B 54 (1998) 115–120; doi:10.1107/S010876819701152X

data_2105593
_publ_section_title
;
 \b-K~2~SO~4~-Type Isomorphs: Prediction of Structures and Refinement of
 Rb~2~CrO~4~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              115
_journal_page_last               120
_journal_paper_doi               10.1107/S010876819701152X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'Rb2 Cr O4'
_chemical_formula_sum            'Cr O4 Rb2'
_chemical_formula_weight         286.93
_chemical_name_systematic        'rubidium dichromate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.976(4)
_cell_length_b                   10.6920(10)
_cell_length_c                   6.057(2)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.01
_cell_measurement_theta_min      20.99
_cell_volume                     516.5(3)
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      297
_diffrn_measurement_device       'Picker NRC'
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.113
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1662
_diffrn_reflns_theta_max         24.95
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    20.29
_exptl_absorpt_correction_T_max  0.1908
_exptl_absorpt_correction_T_min  0.1047
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.690
_exptl_crystal_description       needle
_exptl_crystal_F_000             513.93
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.28
_refine_diff_density_min         -1.98
_refine_ls_extinction_coef       1.98(16)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   8.46
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         468
_refine_ls_R_factor_all          0.051
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         0.062
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          468
_reflns_number_total             501
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            li0250.cif
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     '-P 2c -2n'
_cod_original_formula_sum        'Rb2 Cr O4'
_cod_database_code               2105593