Manganoblödite, Na2Mn(SO4)2·4H2O, and cobaltoblödite, Na2Co(SO4)2·4H2O: two new members of the blödite group from the Blue Lizard mine, San Juan County, Utah, USA
Kasatkin, A. V.; Nestola, F.; Plášil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Goliáš, V.; Birch, W. D.; Mineralogical Magazine 77 (2013) 367–383; doi:10.1180/minmag.2013.077.3.10

data_1519937
_publ_section_title
;
 Manganobl\"odite, Na2Mn(SO4)2&#x00B7;4H2O, and cobaltobl\"odite,
 Na2Co(SO4)2&#x00B7;4H2O: two new members of the bl\"odite group from the
 Blue Lizard mine, San Juan County, Utah, USA
;
_journal_issue                   3
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              367
_journal_page_last               383
_journal_paper_doi               10.1180/minmag.2013.077.3.10
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source
;
Blue Lizard mine, San Juan County, Utah, USA
;
_chemical_formula_sum
'Co0.14 H8 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03'
_chemical_formula_weight         353.20
_chemical_name_common            manganobl\"odite
_chemical_name_mineral           manganobl\"odite
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record             '2013-03-18 # Formatted by publCIF'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.423(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.137(2)
_cell_length_b                   8.2790(10)
_cell_length_c                   5.5381(9)
_cell_measurement_reflns_used    2708
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      43.00
_cell_measurement_theta_min      3.08
_cell_volume                     502.20(14)
_computing_cell_refinement       'Crysalis RED'
_computing_data_collection       'Crysalis CCD'
_computing_data_reduction        'Crysalis RED'
_computing_publication_material  publCIF
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.728
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1498
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2708
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         43.00
_diffrn_reflns_theta_min         3.08
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red, X-Shape'
_exptl_crystal_density_diffrn    2.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         2708
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1210
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 [0.00000+1.00000exp(1.00(sin\q/\l)^2^)]/
   [\s^2^(Fo^2^)+0.0000+0.0000*P+(0.0359P)^2^+0.0000sin\q/\l]
 where P = 0.33333Fo^2^ + 0.66667Fc^2^
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                1115
_reflns_number_total             2708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            manganobloedite.cif
_cod_data_source_block           mn_bloedite
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum
'H8 Co0.14 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03'
_cod_database_code               1519937
_cod_database_fobs_code          1519937