Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound.
Napolitano, Emilio; Dolci, Francesco; Campesi, Renato; Pistidda, Claudio; Hoelzel, Markus; Moretto, Pietro; Enzo, Stefano; Int.J.Hydro.Eneg 39 (2014) 8181–8183; doi:10.1016/j.ijhydene.2014.03.073 http://dx.doi.org/10.1016/j.ijhydene.2013.10.131

data_1513213
_publ_contact_author_address
;European Commission
DG-Joint Research Centre- JRC
Institute for Energy and Transport- IET
Westerduinweg 3, NL-1755 Petten
The Netherlands
;
_publ_contact_author_email       emilio.NAPOLITANO@ec.europa.eu
_publ_contact_author_name        'Emilio Napolitano'
_publ_contact_author_phone       '+31 224 56 5299'
_publ_section_title
;
 Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered
 mixed amide/imide compound.
;
_journal_coden_Cambridge         1509
_journal_name_full               Int.J.Hydro.Eneg
_journal_page_first              8181
_journal_page_last               8183
_journal_paper_doi
'10.1016/j.ijhydene.2014.03.073 http://dx.doi.org/10.1016/j.ijhydene.2013.10.131'
_journal_volume                  39
_journal_year                    2014
_chemical_formula_moiety         'K1 Mg1 N2 D3'
_chemical_formula_structural     KMg(ND)(ND2)
_chemical_formula_sum            'D3 K Mg N2'
_chemical_formula_weight         97.459
_chemical_name_common            'Potassium Magnesium imide-amide'
_chemical_name_systematic        'Potassium Magnesium imide-amide'
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3497(3)
_cell_length_b                   3.6631(1)
_cell_length_c                   9.8901(3)
_cell_volume                     338.725(18)
_computing_structure_refinement  'Maud, version 2.33'
_diffrn_ambient_pressure         101.325
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     '1.5482 '
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              'FRM-II  beamline SPODI'
_exptl_crystal_density_diffrn    1.91
_pd_meas_2theta_range_max        140
_pd_meas_2theta_range_min        5
_refine_ls_goodness_of_fit_all   0.011139839
_refine_ls_R_factor_all          0.027144868
_refine_ls_wR_factor_all         0.035510313
_cod_data_source_file            KMgN2D3.cif
_cod_data_source_block           KMgN2D3
_cod_depositor_comments
;The authors want to remark that the crystal structure, KMg(ND)(ND2),
 originally described with an orthorhombic system with space group
 P212121 (n.19) in the article by Napolitano et al. [1], was recently
 reconsidered and the crystal model can be described in higher symmetry
 using the space group Pnma (n.62) [2].
 As a consequence of the new
 symmetry: cell parameters, space group, and atomic coordinates have
 been updated.
 
 [1]Int J Hydrogen Energy 2014;39:868e76.
 [2]Int J
 Hydrogen Energy 2014;39:8181e83.

The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/j.ijhydene.2014.03.073
http://dx.doi.org/10.1016/j.ijhydene.2013.10.131' was changed to
'10.1016/j.ijhydene.2014.03.073
http://dx.doi.org/10.1016/j.ijhydene.2013.10.131'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_cell_volume        338.725(2)
_cod_original_sg_symbol_Hall     P_2ac_2n
_cod_original_formula_sum        'K1 Mg1 N2 D3'
_cod_database_code               1513213