Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.
Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin; Inorganic chemistry 55 (2015) 345–; doi:10.1021/acs.inorgchem.5b02485

data_4344784
_publ_section_title
;
 Hydrogenation-Induced Structure and Property Changes in the Rare-Earth
 Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing
 Peierls-like Ga-H Chains.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              345
_journal_paper_doi               10.1021/acs.inorgchem.5b02485
_journal_volume                  55
_journal_year                    2015
_chemical_formula_moiety         'D3.32 Nd2, 2(Ga)'
_chemical_formula_sum            'D3.32 Ga2 Nd2'
_chemical_formula_weight         434.59
_chemical_name_systematic        ' ?'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 108.605(12)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   4.1103(7)
_cell_length_b                   4.1662(7)
_cell_length_c                   6.4641(11)
_cell_measurement_temperature    297
_cell_volume                     104.91(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      297
_diffrn_measurement_device_type  PUS
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.55390
_diffrn_source                   'JEEP II Nuclear Reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050023
_pd_meas_2theta_range_max        129.95000
_pd_meas_2theta_range_min        8.30000
_pd_meas_number_of_points        2434
_pd_proc_2theta_range_inc        0.050023
_pd_proc_2theta_range_max        129.9500
_pd_proc_2theta_range_min        8.3000
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.6169
_pd_proc_ls_prof_wR_expected     1.5644
_pd_proc_ls_prof_wR_factor       3.1886
_pd_proc_wavelength              1.553900
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     75
_refine_ls_number_reflns         216
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.6137
_cod_data_source_file            ic5b02485_si_002.cif
_cod_data_source_block           NdGaD1.66
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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 
;
_cod_database_code               4344784
_pd_proc_ls_prof_cr_factor       21.3672
_pd_proc_ls_prof_cwr_factor      19.9778
_pd_proc_ls_prof_cwr_expected    9.8014
_pd_proc_ls_prof_chi2            4.1545
_pd_proc_ls_prof_echi2           4.1545