Mg~4~Sb~2~O~9~ of the ilmenite structure type
Michiue, Yuichi; Acta Crystallographica Section E 64 (2008) i66–; doi:10.1107/S160053680802789X

data_2219706
_publ_section_title
;
 Mg~4~Sb~2~O~9~ of the ilmenite structure type
;
_journal_coeditor_code           SI2101
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i66
_journal_paper_doi               10.1107/S160053680802789X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Mg4 O9 Sb2'
_chemical_formula_moiety         'Mg4 O9 Sb2'
_chemical_formula_sum            'Mg4 O9 Sb2'
_chemical_formula_weight         484.7
_chemical_name_systematic
;
tetramagnesium diantimonate
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_primary     isomor
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.1722(11)
_cell_length_b                   5.1722(11)
_cell_length_c                   14.028(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      13.48
_cell_measurement_theta_min      9.25
_cell_volume                     325.00(11)
_computing_cell_refinement
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1994)
;
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1994)
;
_computing_data_reduction        'Crystal Structure (Rigaku, 2004)'
_computing_molecular_graphics    'ATOMS (Dowty, 2005)'
_computing_publication_material
'(<i>JANA</i>2000; Pet\<r\'i\<cek <i>et al.</i>, 2000)'
_computing_structure_refinement
'(<i>JANA</i>2000; Pet\<r\'i\<cek <i>et al.</i>, 2000)'
_computing_structure_solution
'structure of the present compound is isotypic with ilmenite'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2359
_diffrn_reflns_theta_full        50.11
_diffrn_reflns_theta_max         50.11
_diffrn_reflns_theta_min         4.36
_diffrn_standards_decay_%        4.57
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.734
_exptl_absorpt_correction_T_max  0.671
_exptl_absorpt_correction_T_min  0.210
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(Tompa Analytical, Rigaku 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.9517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.78
_refine_diff_density_min         -3.64
_refine_ls_extinction_coef       0.071(3)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.55
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         773
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/(\s^2^(I)+0.0009I^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                715
_reflns_number_total             773
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            si2101.cif
_cod_data_source_block           I
_cod_original_cell_volume        324.99(11)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2219706