Borohydride hydrazinates: high hydrogen content materials for hydrogen storage
He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping; Energy & Environmental Science 5 (2012) 5686–; doi:10.1039/c2ee03205h

data_1515283
_publ_section_title
;
 Borohydride hydrazinates: high hydrogen content materials for hydrogen
 storage
;
_journal_issue                   2
_journal_name_full               'Energy &amp; Environmental Science'
_journal_page_first              5686
_journal_paper_doi               10.1039/c2ee03205h
_journal_volume                  5
_journal_year                    2012
_chemical_formula_sum            'B H8 Li N2'
_chemical_formula_weight         53.83
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_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
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_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 104.751(5)
_cell_angle_gamma                90.0
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_cell_length_a                   12.1653(16)
_cell_length_b                   6.7288(8)
_cell_length_c                   10.3724(11)
_cell_measurement_temperature    298
_cell_volume                     821.08(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  Bruker_D8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_diffrn_radiation_wavelength_wt  1.00
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.026
_pd_meas_2theta_range_max        79.932
_pd_meas_2theta_range_min        10.018
_pd_meas_number_of_points        2690
_pd_phase_name                   LiBH4_N2H4
_pd_proc_2theta_range_inc        0.026
_pd_proc_2theta_range_max        80.00809
_pd_proc_2theta_range_min        10.09409
_pd_proc_info_datetime           2011-07-01T11:28:27
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_prof_R_factor        0.0371
_pd_proc_ls_prof_wR_expected     0.0274
_pd_proc_ls_prof_wR_factor       0.0475
_pd_proc_number_of_points        2690
_refine_ls_goodness_of_fit_all   1.74
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.10167
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.204
_reflns_d_resolution_low         5.882
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              5
_reflns_limit_k_min              0
_reflns_limit_l_max              8
_reflns_limit_l_min              -8
_reflns_number_total             498
_cod_data_source_file            c2ee03205h.txt
_cod_data_source_block           1LIB1N_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (84
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (42
times).

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               1515283
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000