High pressure exploration in the Li-Ln-V-O system.
Zadoya, A. I.; Arévalo-López, Á M; Sánchez-Benítez, J; Huvé, M; Blach, J.-F.; Merkel, S.; Hilairet, N.; Chantel, J.; Colmont, M.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13663–13670; doi:10.1039/d0dt02721a

data_7705399
_publ_section_title
;
 High pressure exploration in the Li-Ln-V-O system.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13663
_journal_page_last               13670
_journal_paper_doi               10.1039/d0dt02721a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Li Nd5 O13 V2'
_chemical_formula_weight         1038
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_update_record
;
2020-05-25 deposited with the CCDC.	2020-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.8468
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.4507
_cell_length_b                   5.7848
_cell_length_c                   12.2593
_cell_measurement_reflns_used    11412
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.478
_cell_measurement_theta_min      4.952
_cell_volume                     1219.662
_diffrn_ambient_temperature      293
_diffrn_detector                 CDD
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       Bruker_X8_APEX_II
_diffrn_measurement_device_type  diffractometer
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11412
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    11.865
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6360
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.6529
_exptl_crystal_description       shapeless
_exptl_crystal_F_000             1812
_refine_diff_density_max         3.80
_refine_diff_density_min         -3.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.19
_refine_ls_goodness_of_fit_ref   1.53
_refine_ls_number_constraints    0
_refine_ls_number_parameters     75
_refine_ls_number_reflns         2474
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0131
_refine_ls_shift/su_mean         0.0043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0378
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                1496
_reflns_number_total             2474
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d0dt02721a2.cif
_cod_data_source_block           I_CCDC1
_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/RSC/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 7705398--7705400.cif.
;
_cod_original_formula_sum        'Li O13 V2 Nd5'
_cod_database_code               7705399