La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt
Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu; Chemistry of Materials 32 (2020) 9016–9025; doi:10.1021/acs.chemmater.0c03441

data_4003695
_publ_section_title
;
 La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of
 Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              9016
_journal_page_last               9025
_journal_paper_doi               10.1021/acs.chemmater.0c03441
_journal_volume                  32
_journal_year                    2020
_chemical_formula_sum            'Ga3 La2 O7.5'
_chemical_formula_weight         607
_space_group_IT_number           46
_space_group_name_Hall           'I 2 -2a'
_space_group_name_H-M_alt        'I m a 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.4701(4)
_cell_length_b                   11.2676(4)
_cell_length_c                   10.4804(4)
_cell_measurement_temperature    293
_cell_volume                     1354.49(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.41273
_exptl_absorpt_coefficient_mu    5.481
_exptl_crystal_density_diffrn    5.9529
_exptl_crystal_F_000             1448
_pd_instr_location               ' ?'
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_refine_ls_number_constraints    1
_refine_ls_number_parameters     110
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.0495
_refine_ls_shift/su_mean         0.0041
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0239
_refine_ls_wR_factor_gt          0.0239
_cod_data_source_file            cm0c03441_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4003695.cif.
;
_cod_original_cell_volume        1354.49(9)
_cod_original_sg_symbol_Hall     'I -2xa;-2ya;2z'
_cod_database_code               4003695