Cation Size and Anion Anisotropy in Structural Chemistry of Metal Borohydrides. The Peculiar Pressure Evolution of RbBH4
Yaroslav Filinchuk; Alexandr V. Talyzin; Hans Hagemann; Vladimir Dmitriev; Dmitry Chernyshov; Bertil Sundqvist; Inorganic Chemistry 49 (2010) 5285–5292; doi:10.1021/ic100359v

data_4315653
_publ_section_title
;
 Cation Size and Anion Anisotropy in Structural Chemistry of Metal
 Borohydrides. The Peculiar Pressure Evolution of RbBH4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5285
_journal_page_last               5292
_journal_paper_doi               10.1021/ic100359v
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'B H4 Rb'
_chemical_formula_weight         100.3094
_chemical_name_systematic        ' ?'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   5.61216(13)
_cell_length_b                   5.61216(13)
_cell_length_c                   4.08873(14)
_cell_volume                     128.780(6)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_detector_area_resol_mean 6.67
_diffrn_measurement_device_type  'MAR345 Image plate'
_diffrn_measurement_method       \f-scan
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_source         'Beamline BM1A, SNBL, ESRF, Grenoble, France'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.722870
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.031050
_pd_meas_2theta_range_max        41.34095
_pd_meas_2theta_range_min        2.62162
_pd_meas_number_of_points        1249
_pd_proc_2theta_range_inc        0.031050
_pd_proc_2theta_range_max        41.3663
_pd_proc_2theta_range_min        2.6470
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.3630
_pd_proc_ls_prof_wR_expected     0.0368
_pd_proc_ls_prof_wR_factor       0.5100
_pd_proc_wavelength              0.722870
_pd_spec_mounting                ' ?'
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     11
_refine_ls_number_reflns         76
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.9648
_cod_data_source_file            ic100359v_si_001_2.cif
_cod_data_source_block           2_HP1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4315653
_pd_proc_ls_prof_cr_factor       7.8416
_pd_proc_ls_prof_cwr_factor      5.5445
_pd_proc_ls_prof_cwr_expected    0.3999
_pd_proc_ls_prof_chi2            192.1882
_pd_proc_ls_prof_echi2           214.4138