Vandermeerscheite, a new uranyl vanadate related to carnotite, from Eifel, Germany
Jakub Plasil; Anthony R. Kampf; Radek Skoda; Jiri Cejka; Journal of GeoSciences 64 (2019) 219–227; doi:10.3190/jgeosci.288

data_1566238
_publ_section_title
;
 Vandermeerscheite, a new uranyl vanadate related to carnotite, from
 Eifel, Germany
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              219
_journal_page_last               227
_journal_paper_doi               10.3190/jgeosci.288
_journal_volume                  64
_journal_year                    2019
_chemical_absolute_configuration .
_chemical_formula_sum            'K2 O14 U2 V2'
_chemical_formula_weight         880.1
_space_group_IT_number           14
_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                 110.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.292(2)
_cell_length_b                   8.251(3)
_cell_length_c                   10.188(3)
_cell_measurement_reflns_used    346
_cell_measurement_temperature    296.7(2)
_cell_measurement_theta_max      22.67
_cell_measurement_theta_min      3.61
_cell_volume                     651.4(4)
_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      296.7
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2027
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.82
_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  0.1285
_diffrn_reflns_av_unetI/netI     0.1814
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4090
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         29.67
_diffrn_reflns_theta_min         3.61
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    26.881
_exptl_absorpt_correction_T_max  0.063
_exptl_absorpt_correction_T_min  0.0352
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   Jana2006
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.487
_exptl_crystal_description       tabular
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.053
_exptl_crystal_size_mid          0.022
_exptl_crystal_size_min          0.005
_exptl_crystal_size_rad          0.1
_refine_diff_density_max         10.02
_refine_diff_density_min         -11.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.35
_refine_ls_goodness_of_fit_ref   1.21
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1474
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1889
_refine_ls_R_factor_gt           0.0834
_refine_ls_shift/su_max          0.0264
_refine_ls_shift/su_mean         0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0035999999I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2387
_reflns_number_gt                644
_reflns_number_total             1474
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jgeosci.288_supplementary_vandermeerscheite.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_database_code               1566238