Horakite, a new hydrated bismuth uranyl-arsenate-phosphate mineral from Jachymov (Czech Republic) with a unique uranyl-anion topology
Jakub Plasil; Anthony R. Kampf; Jiri Sejkora; Jiri Cejka; Radek Skoda; Jaromir Tvrdy; Journal of GeoSciences 63 (2018) 265–276; doi:10.3190/jgeosci.267

data_1566251
_publ_section_title
;
 Horakite, a new hydrated bismuth uranyl-arsenate-phosphate mineral from
 Jachymov (Czech Republic) with a unique uranyl-anion topology
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              265
_journal_page_last               276
_journal_paper_doi               10.3190/jgeosci.267
_journal_volume                  63
_journal_year                    2018
_chemical_absolute_configuration .
_chemical_formula_sum            'As1.259 Bi7 H11.493 O37.5 P2.741 U4'
_chemical_formula_weight         3205.77
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.261(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.374(2)
_cell_length_b                   15.451(3)
_cell_length_c                   12.168(2)
_cell_measurement_reflns_used    1137
_cell_measurement_temperature    296.63(15)
_cell_measurement_theta_max      26.81
_cell_measurement_theta_min      3.7
_cell_volume                     3398.1(10)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_diffrn_ambient_temperature      296.63
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2027
_diffrn_measured_fraction_theta_full 0.91
_diffrn_measured_fraction_theta_max 0.75
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.128
_diffrn_reflns_av_unetI/netI     0.1611
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8703
_diffrn_reflns_theta_full        22.62
_diffrn_reflns_theta_max         29.48
_diffrn_reflns_theta_min         3.35
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    56.561
_exptl_absorpt_correction_T_max  0.6699
_exptl_absorpt_correction_T_min  0.4429
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   Jana2006
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.2643
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             5317
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.007
_refine_diff_density_max         11.52
_refine_diff_density_min         -6.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.22
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    21
_refine_ls_number_parameters     152
_refine_ls_number_reflns         3574
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1350
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.0423
_refine_ls_shift/su_mean         0.0029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1458
_reflns_number_gt                1744
_reflns_number_total             3574
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jgeosci.267_horakite.cif
_cod_data_source_block           I
_cod_database_code               1566251