Tazzoliite: a new mineral with a pyrochlore-related structure from the Euganei Hills, Padova, Italy
Cámara, Fernando; Nestola, Fabrizio; Bindi, Luca; Guastoni, Alessandro; Zorzi, Federico; Peruzzo, Luca; Pedron, Danilo; Mineralogical Magazine 76 (2012) 827–838; doi:10.1180/minmag.2012.076.4.01

data_1519936
_publ_contact_author_address
;Dip. di Scienze della Terra
Universit\`a di degli Ptudi di Torino
Via Valperga Caluso, 35 - 10125 Torino, Italy
;
_publ_contact_author_email       fernando.camaraartigas@unito.it
_publ_contact_author_fax         +390116705128
_publ_contact_author_name        'Fernando Camara'
_publ_contact_author_phone       +390116705132
_publ_section_title
;
 Tazzoliite: a new mineral with a pyrochlore-related structure from the
 Euganei Hills, Padova, Italy
;
_journal_issue                   4
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              827
_journal_page_last               838
_journal_paper_doi               10.1180/minmag.2012.076.4.01
_journal_volume                  76
_journal_year                    2012
_chemical_formula_sum
'Ba4.2 Ca3.31 H1.73 Na0.48 Nb5.76 O38.83 P0.52 Si2 Sr0 Ti4.24'
_chemical_formula_weight         2154.04
_chemical_name_common            tazzoliite
_chemical_name_mineral           tazzoliite
_chemical_name_systematic        tazzoliite
_space_group_crystal_system      orthorhombic
_space_group_IT_number           69
_space_group_name_Hall           '-F 2 2'
_space_group_name_H-M_alt        'F m m m'
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4105(4)
_cell_length_b                   20.0675(11)
_cell_length_c                   21.4471(11)
_cell_measurement_reflns_used    5584
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      2.7
_cell_volume                     3189.4(3)
_computing_structure_refinement  'SHELXL-97 (Pheldrick, 2008)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'BRUKER-AXS SMART APEX CCD'
_diffrn_measurement_method       \\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12200
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.90
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    8.864
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            light-orange
_exptl_crystal_density_diffrn    4.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             3941
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.015
_refine_diff_density_max         2.363
_refine_diff_density_min         -3.851
_refine_diff_density_rms         0.410
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.246
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+564.6627P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1575
_refine_ls_wR_factor_ref         0.1581
_reflns_number_gt                1300
_reflns_number_total             1312
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            827-tazzoliite.cif
_cod_data_source_block           tazzoliite
_cod_original_formula_sum
'H1.73 Ba4.20 Ca3.31 Na0.48 Nb5.76 O38.83 P0.52 Si2 Sr0 Ti4.24'
_cod_database_code               1519936