A new modification of Sr~5~Sb~3~
Rehr, A.; Kauzlarich, S. M.; Acta Crystallographica Section C 49 (1993) 1442–1444; doi:10.1107/S0108270192013362

data_2001428
_publ_section_title
;
 A new modification of Sr~5~Sb~3~
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_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1442
_journal_page_last               1444
_journal_paper_doi               10.1107/S0108270192013362
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Sb3 Sr5'
_chemical_formula_weight         803.4
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.173(6)
_cell_length_b                   10.101(7)
_cell_length_c                   8.734(4)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    130
_cell_measurement_theta_max      15.5
_cell_measurement_theta_min      6
_cell_volume                     1162.2(11)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1417
_diffrn_reflns_theta_max         55.0
_diffrn_standards_decay_%        +-2.0
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    29.553
_exptl_absorpt_correction_T_max  0.232
_exptl_absorpt_correction_T_min  0.0125
_exptl_absorpt_correction_type
;empirical based on F~o~ and F~c~ differences
 (XABS; Moezzi, 1987)
;
_exptl_crystal_colour            Metallic
_exptl_crystal_density_diffrn    4.592
_exptl_crystal_description       Cuboid
_exptl_crystal_size_max          0.225
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.95
_refine_diff_density_min         -2.10
_refine_ls_goodness_of_fit_obs   1.17
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1010
_refine_ls_R_factor_obs          0.0373
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F)+0.0002F^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0320
_reflns_number_observed          1010
_reflns_number_total             1417
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            st1034.cif
_cod_data_source_block           st1034_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F)+0.0002F^2^]^-1^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F)+0.0002F^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1162.1(11)
_cod_database_code               2001428