Zn location in the <i>W</i>-type hexagonal ferrite SrZnCoFe~16~O~27~
Graetsch, Heribert A.; Acta Crystallographica Section C 58 (2002) i152–i153; doi:10.1107/S0108270102017316

data_2013050
_publ_section_title
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 Zn location in the <i>W</i>-type hexagonal ferrite SrZnCoFe~16~O~27~
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_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i152
_journal_page_last               i153
_journal_paper_doi               10.1107/S0108270102017316
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Co Fe16 O27 Sr Zn'
_chemical_formula_moiety         'Co Fe16 O27 Sr Zn'
_chemical_formula_sum            'Co Fe16 O27 Sr Zn'
_chemical_formula_weight         1537.52
_chemical_name_common            'W hexaferrite'
_chemical_name_systematic
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strontium zinc cobalt hexadecairon oxide
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_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.9020(10)
_cell_length_b                   5.9020(10)
_cell_length_c                   32.780(10)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      42.5
_cell_measurement_theta_min      2.5
_cell_volume                     988.9(4)
_computing_cell_refinement       'LCLSQ (Burnham, 1963)'
_computing_data_collection       'CrysAlisCCD (Oxford Diffraction, 2002)'
_computing_data_reduction        'CrysAlisRED (Oxford Diffraction, 2002)'
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 1994)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Xcalibur with Sapphire2 CCD-area detector'
_diffrn_measurement_method       '\w and \f'
_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  0.052
_diffrn_reflns_av_sigmaI/netI    0.017
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            16610
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.39
_diffrn_reflns_theta_min         3.73
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 300
_diffrn_standards_interval_time  75
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    16.137
_exptl_absorpt_correction_T_max  0.468
_exptl_absorpt_correction_T_min  0.085
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'after shape optimisation Ref.'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.164
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1454
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.68
_refine_ls_extinction_coef       0.00828(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.300
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         687
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.299
_refine_ls_R_factor_all          0.026
_refine_ls_R_factor_gt           0.023
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0178P)^2^+2.9005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.055
_refine_ls_wR_factor_ref         0.056
_reflns_number_gt                659
_reflns_number_total             687
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1585.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_database_code               2013050
_cod_database_fobs_code          2013050