In Situ Hydrogenation of the Zintl Phase SrGe
Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann; Inorganic Chemistry 56 (2017) 1072–1079; doi:

data_4345256
_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_volume                  56
_journal_year                    2017
_chemical_formula_sum            'D0.2 Ge Sr'
_chemical_formula_weight         160.63
_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            4
_cell_length_a                   4.7659(5)
_cell_length_b                   11.8281(14)
_cell_length_c                   4.1542(5)
_cell_measurement_pressure       5000
_cell_measurement_reflns_used    73
_cell_measurement_temperature    618
_cell_measurement_theta_max      129.2
_cell_measurement_theta_min      18.2
_cell_volume                     234.18(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      618
_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        0.050187
_pd_meas_2theta_range_max        150.15240
_pd_meas_2theta_range_min        0.35240
_pd_meas_number_of_points        2987
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.050187
_pd_proc_2theta_range_max        150.2663
_pd_proc_2theta_range_min        0.4663
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.1484
_pd_proc_ls_prof_wR_expected     1.6895
_pd_proc_ls_prof_wR_factor       4.1543
_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   2.45
_refine_ls_number_parameters     72
_refine_ls_number_reflns         98
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.8220
_refine_ls_shift/su_max          0.05
_cod_data_source_file            alpha.cif
_cod_data_source_block           alpha-SrGeDx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 4624 2016-04-14 12:54:50Z antanas 
;
_cod_original_formula_sum        'D0.20 Ge1 Sr1'
_cod_database_code               4345256
_pd_proc_ls_prof_cr_factor       13.6368
_pd_proc_ls_prof_cwr_factor      13.0302
_pd_proc_ls_prof_cwr_expected    5.2992
_pd_proc_ls_prof_chi2            6.0462
_pd_proc_ls_prof_echi2           6.0462