High-pressure synthesis and crystal structure of the strontium tungstate Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.
Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya; Acta crystallographica. Section C, Structural chemistry 74 (2018) 120–124; doi:10.1107/S2053229617017879

data_2311977
_publ_section_title
;
 High-pressure synthesis and crystal structure of the strontium tungstate
 Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.
;
_journal_coeditor_code           QP3004
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              120
_journal_page_last               124
_journal_paper_doi               10.1107/S2053229617017879
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'Sr3 W2 O9'
_chemical_formula_moiety         'Sr3 W2 O9'
_chemical_formula_sum            'O9 Sr3 W2'
_chemical_formula_weight         774.6
_chemical_name_systematic
;
Strontium tungstate
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.497(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.637(3)
_cell_length_b                   5.564(5)
_cell_length_c                   13.763(2)
_cell_measurement_reflns_used    3874
_cell_measurement_temperature    298
_cell_measurement_theta_max      30.48
_cell_measurement_theta_min      3.04
_cell_volume                     717.6(7)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX2 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
VESTA (Momma & Izumi, 2011)
;
_computing_structure_refinement
;
JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2014)
;
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis, 2007)
;
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3874
_diffrn_reflns_theta_full        30.48
_diffrn_reflns_theta_max         30.48
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    54.122
_exptl_absorpt_correction_T_max  0.2295
_exptl_absorpt_correction_T_min  0.0891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    7.1695
_exptl_crystal_description       prism
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.059
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       93(7)
_refine_ls_extinction_method
;
B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
;
_refine_ls_goodness_of_fit_ref   1.18
_refine_ls_number_constraints    0
_refine_ls_number_parameters     45
_refine_ls_number_reflns         1086
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0175
_refine_ls_shift/su_max          0.0110
_refine_ls_shift/su_mean         0.0036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0481
_reflns_number_gt                901
_reflns_number_total             1086
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qp3004sup1.cif
_cod_data_source_block           298K
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311977