Sr‒fresnoite determined from synchrotron X-ray powder diffraction data
Bell, Anthony M. T.; Henderson, C. Michael B.; Acta Crystallographica Section E 69 (2013) i1–; doi:10.1107/S1600536812048921

data_2237244
_publ_section_title
;
 Sr--fresnoite determined from synchrotron X-ray powder diffraction data
;
_journal_coeditor_code           WM2699
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i1
_journal_paper_doi               10.1107/S1600536812048921
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'Sr2 Ti Si2 O8'
_chemical_formula_structural     'Sr2 Ti Si2 O8'
_chemical_formula_sum            'O8 Si2 Sr2 Ti'
_chemical_formula_weight         407.31
_chemical_name_common            'Strontium fresnoite'
_chemical_name_systematic
;
Distrontium oxidotitanium disilicate
;
_space_group_IT_number           100
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   8.3200(3)
_cell_length_b                   8.3200(3)
_cell_length_c                   5.0239(2)
_cell_measurement_temperature    293
_cell_volume                     347.77(2)
_computing_cell_refinement       'local software'
_computing_data_collection       'local software'
_computing_data_reduction        'local software'
_computing_molecular_graphics    'VESTA (Momma & Izumi, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'FULLPROF (Rodriguez-Carvajal, 2001)'
_computing_structure_solution    'coordinates taken from a related compound'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'In-house design'
_diffrn_radiation_monochromator  'Laue DCM diamond(111) & Si(111)'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.207549
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_density_diffrn    3.8896(2)
_exptl_crystal_density_method    'not measured'
_pd_block_diffractogram_id       srfrespd
_pd_char_colour                  white
_pd_char_particle_morphology     powder
_pd_instr_location
;
P02.1 Powder Diffraction beamline, PETRA-III synchrotron, Hamburg.
;
_pd_meas_2theta_range_inc        0.008081
_pd_meas_2theta_range_max        11.91532
_pd_meas_2theta_range_min        0.05249
_pd_meas_number_of_points        1476
_pd_meas_scan_method             cont
_pd_prep_pressure                100
_pd_prep_temperature             1323
_pd_proc_2theta_range_inc        0.008081
_pd_proc_2theta_range_max        11.9153
_pd_proc_2theta_range_min        0.0525
_pd_proc_info_excluded_regions   '0-1 and 11.7-12.0 degrees 2\q'
_pd_proc_ls_profile_function     'T-C-H Pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.052
_pd_proc_ls_prof_wR_expected     0.031
_pd_proc_ls_prof_wR_factor       0.073
_pd_proc_wavelength              0.207549
_pd_spec_mounting                capillary
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              0.7
_pd_spec_size_thick              0.7
_refine_ls_goodness_of_fit_all   5.5739
_refine_ls_number_parameters     71
_refine_ls_number_reflns         125
_refine_ls_number_restraints     5
_cod_data_source_file            wm2699.cif
_cod_data_source_block           I
_cod_database_code               2237244