In Situ Hydrogenation of the Zintl Phase SrGe.
Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Kohlmann, Holger; Inorganic chemistry 56 (2017) 1072–1079; doi:10.1021/acs.inorgchem.6b01945

data_4345049
_publ_section_title
;
 In Situ Hydrogenation of the Zintl Phase SrGe.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1072
_journal_page_last               1079
_journal_paper_doi               10.1021/acs.inorgchem.6b01945
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'D0.53 Ge Sr'
_chemical_formula_weight         161.29
_chemical_name_systematic        ' ?'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            16
_cell_length_a                   9.3369(19)
_cell_length_b                   25.001(6)
_cell_length_c                   4.1165(8)
_cell_measurement_pressure       5000
_cell_measurement_reflns_used    212
_cell_measurement_temperature    538
_cell_measurement_theta_max      106.5
_cell_measurement_theta_min      8.567
_cell_volume                     960.9(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      538
_diffrn_measurement_device_type  'ILL D20 two-axis diffractometer'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.86727
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              'constant wave length neutron diffraction'
_pd_char_colour                  grey
_pd_instr_location
' 'D20 diffractometer, ILL, Grenoble, France''
_pd_meas_2theta_range_inc        0.050153
_pd_meas_2theta_range_max        150.15240
_pd_meas_2theta_range_min        0.50240
_pd_meas_number_of_points        2986
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.050153
_pd_proc_2theta_range_max        150.2211
_pd_proc_2theta_range_min        0.5711
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        4.9683
_pd_proc_ls_prof_wR_expected     2.9570
_pd_proc_ls_prof_wR_factor       6.4130
_pd_proc_wavelength              1.867270
_pd_spec_mounting
' 'sapphire single crystal cell under 5 MPa hydrogen pressure''
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   2.17
_refine_ls_number_parameters     61
_refine_ls_number_reflns         382
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.6563
_refine_ls_shift/su_max          0.05
_cod_data_source_file            ic6b01945_si_003.cif
_cod_data_source_block           beta
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4345049.cif.
;
_cod_original_formula_sum        'D0.53 Ge1 Sr1'
_cod_database_code               4345049
_pd_proc_ls_prof_cr_factor       20.1851
_pd_proc_ls_prof_cwr_factor      18.6178
_pd_proc_ls_prof_cwr_expected    8.5848
_pd_proc_ls_prof_chi2            4.7033
_pd_proc_ls_prof_echi2           4.7033