Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).
Bell, Anthony M. T.; Henderson, C. Michael B.; Acta Crystallographica Section E 72 (2016) 249–252; doi:10.1107/S2056989016001390

data_2241524
_publ_section_title
;
 Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~
 (<i>X</i> = Ni, Mn).
;
_journal_coeditor_code           VN2106
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              249
_journal_page_last               252
_journal_paper_doi               10.1107/S2056989016001390
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'Rb2 Ni1 Si5 O12'
_chemical_formula_moiety
;
Rb2 Ni1 Si5 O12
;
_chemical_formula_structural
;
Rb2 Ni1 Si5 O12
;
_chemical_formula_sum            'Ni O12 Rb2 Si5'
_chemical_formula_weight         562.0584
_chemical_name_common            'rubidium nickel silicon oxide'
_chemical_name_systematic
;
Dirubidium nickel(II) pentasilicate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   13.469(3)
_cell_length_b                   13.480(3)
_cell_length_c                   13.442(2)
_cell_measurement_temperature    293
_cell_volume                     2440.6(8)
_computing_data_collection
;
<i>X'Pert Data Collector</i> (PANalytical, 2006)
;
_computing_molecular_graphics
;
<i>VESTA</i> (Momma & Izumi, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>FULLPROF</i> (Rodr\'iguez-Carvajal, 1993)
;
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'PANalytical X'Pert Pro MPD diffractometer'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    3.0590(10)
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  purple-blue
_pd_instr_location
'PANalytical X'Pert Pro MPD, MERI, Sheffield Hallam University'
_pd_meas_2theta_range_inc        0.016711
_pd_meas_2theta_range_max        79.99515
_pd_meas_2theta_range_min        10.00836
_pd_meas_number_of_points        4189
_pd_meas_scan_method             step
_pd_prep_pressure                100
_pd_prep_temperature             1193
_pd_proc_2theta_range_inc        0.016711
_pd_proc_2theta_range_max        79.8834
_pd_proc_2theta_range_min        9.8967
_pd_proc_ls_background_function  'cubic splines interpolation'
_pd_proc_ls_pref_orient_corr
;
;
_pd_proc_ls_profile_function     'T-C-H Pseudo-Voigt'
_pd_proc_ls_prof_R_factor        9.0479
_pd_proc_ls_prof_wR_expected     4.2628
_pd_proc_ls_prof_wR_factor       12.0071
_pd_proc_wavelength              1.540560
_pd_spec_mounting                'flat plate'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   irregular
_pd_spec_size_axial              10
_pd_spec_size_equat              10
_pd_spec_size_thick              0.1
_refine_ls_goodness_of_fit_all   2.817
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1861
_refine_ls_number_restraints     24
_cod_data_source_file            vn2106sup1.cif
_cod_data_source_block           Rb2NiSi5O12
_cod_original_cell_volume        2440.7(8)
_cod_original_formula_sum
;
Ni1 O12 Rb2 Si5
;
_cod_database_code               2241524
_cod_database_fobs_code 2241524