NaSn2: A Novel Binary Zintl Phase with 2D Polyanions of Realgar-Type Units [Sn8]4-
Franck Dubois; Martin Schreyer; Thomas F. Fässler; Inorganic Chemistry 44 (2005) 477–479; doi:10.1021/ic048770p

data_4308468
_publ_contact_author_address
;Department Chemie
Technische Universit\"at M\"unchen    
Lichtenbergstrasse 4
85747 Garching, Germany
;
_publ_contact_author_email       Thomas.Faessler@lrz.tum.de
_publ_contact_author_fax         '+49-(0) 89 28913134'
_publ_contact_author_name        'F\"assler, Thomas F.'
_publ_contact_author_phone       '+49-(0) 89 28913186'
_publ_section_title
;
NaSn2: A Novel Binary Zintl Phase with 2D Polyanions of Realgar-Type
Units [Sn8]4-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              477
_journal_page_last               479
_journal_paper_doi               10.1021/ic048770p
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Na Sn2'
_chemical_formula_weight         260.37
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.5281(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   13.3916(3)
_cell_length_b                   6.8541(2)
_cell_length_c                   15.4889(4)
_cell_measurement_reflns_used    20537
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1
_cell_volume                     1387.83(6)
_computing_cell_refinement       'DENZO (Nonius, 2001b)'
_computing_data_collection       'KappaCCD control sofware (Nonius, 2001a)'
_computing_data_reduction        'DENZO (Nonius, 2001b)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 'CCD plate'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'NONIUS FR 591 rotating anode'
_diffrn_measurement_method       'phi- and omega-rotation'
_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  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16196
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.35
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    14.222
_exptl_absorpt_correction_T_max  0.592
_exptl_absorpt_correction_T_min  0.123
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
Platon_Delabs_(see:_Walker,_N.&_Stuart,_D._(1983)_Acta_Cryst._A39,_158-166)
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    4.985
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.5
_refine_diff_density_max         5.060
_refine_diff_density_min         -1.493
_refine_diff_density_rms         0.360
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     63
_refine_ls_number_reflns         1721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.200
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0356
_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^)+(0.0295P)^2^+57.8757P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                1687
_reflns_number_total             1721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048770psi20041116_121618.cif
_cod_data_source_block           NaSn2
_cod_database_code               4308468