Krupickaite, Cu6[AsO3(OH)]6 . 8H2O, a new copper arsenate mineral from Jachymov (Czech Republic)
Gwladys Steciuk; Jiri Sejkora; Jiri Cejka; Jakub Plasil; Jan Hlousek; Journal of GeoSciences 66 (2021) 37–50; doi:10.3190/jgeosci.318

data_1566215
_publ_section_title
;
 Krupickaite, Cu6[AsO3(OH)]6 . 8H2O, a new copper arsenate mineral from
 Jachymov (Czech Republic)
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              37
_journal_page_last               50
_journal_paper_doi               10.3190/jgeosci.318
_journal_volume                  66
_journal_year                    2021
_chemical_absolute_configuration .
_chemical_formula_sum            'As6 Cu6 H18 O32.216'
_chemical_formula_weight         1364.4
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.424
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2525
_cell_length_b                   17.5922
_cell_length_c                   10.2747
_cell_measurement_temperature    293
_cell_volume                     2681.636
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.74
_diffrn_measured_fraction_theta_max 0.72
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.0251
_diffrn_reflns_av_unetI/netI     0.5071
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_full        0.48
_diffrn_reflns_theta_max         1.01
_diffrn_reflns_theta_min         0.06
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    3.3794
_exptl_crystal_F_000             2591
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    0.00
_refine_ls_goodness_of_fit_ref   1.81
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    64
_refine_ls_number_parameters     350
_refine_ls_number_reflns         19715
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.5338
_refine_ls_R_factor_gt           0.1307
_refine_ls_shift/su_max          0.0674
_refine_ls_shift/su_mean         0.0069
_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          0.1180
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                2027
_reflns_number_total             19715
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jgeosci.318_ESI_krupickaite.cif
_cod_data_source_block           I
_cod_original_cell_volume        2681.635
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_database_code               1566215