Dy~2~Ni~7~Sn~3~: a new member of the CaCu~5~ family of intermetallics
Romaka, V.; Gladyshevskii, R.; Marciniak, B.; Pavlyuk, V.; Acta Crystallographica Section C 64 (2008) i45–i46; doi:10.1107/S0108270108009657

data_2016598
_publ_section_title
;
 Dy~2~Ni~7~Sn~3~: a new member of the CaCu~5~ family of intermetallics
;
_journal_coeditor_code           IZ3047
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i45
_journal_page_last               i46
_journal_paper_doi               10.1107/S0108270108009657
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Dy2 Ni7 Sn3'
_chemical_formula_moiety         'Dy2 Ni7 Sn3'
_chemical_formula_sum            'Dy2 Ni7 Sn3'
_chemical_formula_weight         1092.04
_chemical_name_systematic
;
didysprosium heptanickel tritin
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_atom_sites_solution_primary     direct
_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            8
_cell_length_a                   8.5964(2)
_cell_length_b                   23.6415(6)
_cell_length_c                   7.5383(2)
_cell_measurement_reflns_used    1232
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      3.21
_cell_volume                     1532.02(7)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2005)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Xcalibur Oxford Diffraction with a CCD detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6228
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         3.21
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    45.493
_exptl_absorpt_correction_T_max  0.1429
_exptl_absorpt_correction_T_min  0.0397
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    9.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.635
_refine_diff_density_min         -3.037
_refine_ls_extinction_coef       0.000240(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.240
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0184P)^2^+100.8928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0584
_refine_ls_wR_factor_ref         0.0666
_reflns_number_gt                1033
_reflns_number_total             1232
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            iz3047.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_database_code               2016598
_cod_database_fobs_code          2016598