The Indium Subnitrides Ae6In4(InxLiy)N3-z (Ae = Sr and Ba)
Mark S. Bailey; Daniel Y. Shen; Michael A. McGuire; Daniel C. Fredrickson; Brian H. Toby; Francis J. DiSalvo; Hisanori Yamane; Shinya Sasaki; Masahiko Shimada; Inorganic Chemistry 44 (2005) 6680–6690; doi:10.1021/ic050613i

data_4309586
_publ_contact_author_address
; 
Dept. of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14853
;
_publ_contact_author_email       fjd3@cornell.edu
_publ_contact_author_fax         0016072554137
_publ_contact_author_name        'F.J. DiSalvo'
_publ_contact_author_phone       0016072557238
_publ_section_title
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The Indium Subnitrides Ae6In4(InxLiy)N3-z (Ae = Sr and Ba)
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6680
_journal_page_last               6690
_journal_paper_doi               10.1021/ic050613i
_journal_volume                  44
_journal_year                    2005
_chemical_formula_structural     Sr6Li0.92In4.32N2.49
_chemical_formula_sum            'In4.32 Li0.92 N2.49 Sr6'
_chemical_formula_weight         1063.04
_chemical_name_common            'Lithium Strontium Indium Nitride'
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_author_name               mark
_audit_creation_date             2005-02-10T15:33
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-02-10T15:33  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.3752(4)
_cell_length_b                   14.3752
_cell_length_c                   14.3752
_cell_measurement_temperature    173
_cell_volume                     2970.58(8)
_computing_structure_refinement  GSAS
_computing_structure_solution    'EXPGUI and GSAS'
_exptl_crystal_density_diffrn    4.754
_pd_block_id                     2005-02-10T15:33|SRINN_phase1|mark||
_pd_char_colour                  black_metallic
_pd_phase_name                   Sr-In-N
_pd_prep_temperature             1073
_refine_ls_goodness_of_fit_all   1.03
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ic050613isi20050421_094422_2.cif
_cod_data_source_block           SRINN_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (393
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (73 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        In4.32Li0.92N2.49Sr6
_cod_database_code               4309586