Plasilite, Na(UO2)(SO4)(OH) . 2H2O, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA
Anthony R. Kampf; Anatoly V. Kasatkin; Jiri Cejka; Joe Marty; Journal of GeoSciences 60 (2015) 1–10; doi:10.3190/jgeosci.184

data_1566265
_publ_section_title
;
 Plasilite, Na(UO2)(SO4)(OH) . 2H2O, a new uranyl sulfate mineral from the
 Blue Lizard mine, San Juan County, Utah, USA
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.3190/jgeosci.184
_journal_volume                  60
_journal_year                    2015
_chemical_compound_source        'Blue Lizard mine, Utah'
_chemical_formula_sum            'H4 Na O9 S U'
_chemical_formula_weight         441.11
_chemical_name_mineral           plasilite
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_cell_angle_alpha                90
_cell_angle_beta                 112.126(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7122(6)
_cell_length_b                   13.8368(4)
_cell_length_c                   7.04650(17)
_cell_volume                     786.89(8)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            7709
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.477
_diffrn_reflns_theta_min         3.451
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    20.965
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Higashi2001
_exptl_crystal_density_diffrn    3.723
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.005
_refine_diff_density_max         3.067
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         1794
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+0.4537P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.0462
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1609
_reflns_number_total             1794
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jgeosci.184_kampf_supplementary_plasilite.cif
_cod_data_source_block           plasilite
_cod_original_cell_volume        786.89(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1566265
_shelx_estimated_absorpt_t_min   0.285
_shelx_estimated_absorpt_t_max   0.902
_shelxl_version_number           2013-4
_shelx_res_checksum              83470
_shelx_hkl_checksum              76316