RbH~2~AsO~4~
Stöger, Berthold; Acta Crystallographica Section E 69 (2013) i73–i74; doi:10.1107/S1600536813026676

data_2238772
_publ_section_title
;
 RbH~2~AsO~4~
;
_journal_coeditor_code           PK2499
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i73
_journal_page_last               i74
_journal_paper_doi               10.1107/S1600536813026676
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'Rb H2 As O4'
_chemical_formula_moiety         'As H2 O4, Rb'
_chemical_formula_sum            'As H2 O4 Rb'
_chemical_formula_weight         226.4
_chemical_name_common            'rubidium dihydrogen arsenate(V)'
_chemical_name_systematic
;
Rubidium dihydrogenarsenate
;
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     isomor
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7865(9)
_cell_length_b                   7.7865(9)
_cell_length_c                   7.466(2)
_cell_measurement_reflns_used    2250
_cell_measurement_temperature    295
_cell_measurement_theta_max      44.1
_cell_measurement_theta_min      3.7
_cell_volume                     452.66(14)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2013)'
_computing_molecular_graphics    'ATOMS (Dowty, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2006)'
_computing_structure_solution
'coordinates of Al-Karaghouli <i>et al.</i> (1978)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9202
_diffrn_reflns_theta_full        45.33
_diffrn_reflns_theta_max         45.33
_diffrn_reflns_theta_min         3.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.073
_exptl_absorpt_correction_T_max  0.009
_exptl_absorpt_correction_T_min  0.004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2013)'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    3.3212
_exptl_crystal_description       block
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.50
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_refine_ls_abs_structure_details
;
Flack (1983), 409 Friedel pairs
;
_refine_ls_abs_structure_Flack   -0.010(13)
_refine_ls_extinction_coef       444E1(11)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.25
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     20
_refine_ls_number_reflns         955
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.0205
_refine_ls_shift/su_mean         0.0043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0288
_refine_ls_wR_factor_ref         0.0317
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            pk2499.cif
_cod_data_source_block           I
_cod_original_cell_volume        452.64(14)
_cod_database_code               2238772