Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Stöger, Berthold; Dušek, Michal; Crystal Growth & Design 14 (2014) 4640–; doi:10.1021/cg500733w

data_4511752
_publ_section_title
;
 Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4640
_journal_paper_doi               10.1021/cg500733w
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'As K O3'
_chemical_formula_weight         162
_chemical_name_common            'potassium metaarsenate, alpha'
_chemical_name_systematic        ?
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.22953(20)
_cell_length_b                   4.694110(68)
_cell_length_c                   6.064530(94)
_cell_measurement_temperature    743
_cell_volume                     376.613(10)
_computing_cell_refinement       'Topas Academic (Coelho Software, 2007)'
_computing_data_collection       'XPert Datacollector'
_computing_molecular_graphics    'ATOMS (Dowty, 2006)'
_computing_structure_refinement  'Topas Academic (Coelho Software, 2007)'
_computing_structure_solution    'by isomorphous structure method'
_diffrn_ambient_temperature      743
_diffrn_detector                 semiconductor
_diffrn_detector_type            'Panalytical XCelerator'
_diffrn_measurement_device_type  'Panalytical XPert Pro with HTK-1200N'
_diffrn_radiation_monochromator  none
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              Panalytical
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0167
_pd_meas_2theta_range_max        80
_pd_meas_2theta_range_min        10
_pd_meas_number_of_points        4191
_pd_meas_scan_method             cont
_pd_proc_ls_background_function  'Chebyshev polynomial of order 6'
_pd_proc_ls_pref_orient_corr     ' March-Dollase in [100] direction'
_pd_proc_ls_profile_function     'fundamental parameters approach'
_pd_proc_ls_prof_R_factor        0.0167
_pd_proc_ls_prof_wR_factor       0.0280
_pd_spec_mounting                ' Circular Marcor sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              16
_pd_spec_size_equat              16
_pd_spec_size_thick              0.8
_refine_ls_goodness_of_fit_all   5.298
_refine_ls_R_factor_all          0.0509
_refine_ls_weighting_details     1/[Y~i~+\s(Y~i~)]
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cg500733w_si_001.cif
_cod_data_source_block           alpha_kaso3
_cod_depositor_comments
'Adding full bibliography for 4511752--4511758.cif.'
_cod_original_cell_volume        376.6126(99)
_cod_original_formula_sum        'As1 K1 O3'
_cod_database_code               4511752