Crystal Growth of Novel Osmium-Containing Triple Perovskites
Katharine E. Stitzer; Ahmed El Abed; Mark D. Smith; Matthew J. Davis; Seung-Joo Kim; Jacques Darriet; Hans-Conrad zur Loye; Inorganic Chemistry 42 (2003) 947–949; doi:10.1021/ic026124p

data_4313193
_publ_contact_author
;
 Hanno zur Loye
 University of South Carolina
 Dept. of Chemistry and Biochemistry
 Columbia, SC 29208
;
_publ_contact_author_email       ' zurloye@sc.edu '
_publ_section_title
;
 Crystal Growth of Novel Osmium-Containing Triple Perovskites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              947
_journal_page_last               949
_journal_paper_doi               10.1021/ic026124p
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Ba3 Li O9 Os2'
_chemical_formula_weight         943.4
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.80250(10)
_cell_length_b                   5.80250(10)
_cell_length_c                   14.1468(4)
_cell_volume                     412.495(15)
_diffrn_measurement_device       'imaging plate system'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1184
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7928
_diffrn_reflns_theta_max         30.95
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    44.8222
_exptl_absorpt_correction_T_max  0.1544
_exptl_absorpt_correction_T_min  0.0735
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_density_diffrn    7.593
_exptl_crystal_F_000             790
_refine_diff_density_max         4.16
_refine_diff_density_min         -3.68
_refine_ls_extinction_coef       0.149653
_refine_ls_extinction_method     'B-C type 1 Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   2.57
_refine_ls_goodness_of_fit_ref   2.57
_refine_ls_number_parameters     22
_refine_ls_number_reflns         291
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.0654
_refine_ls_shift/su_mean         0.0120
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/\s^2^(I)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0698
_reflns_limit_h_max              0
_reflns_limit_h_min              -4
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_observed          291
_reflns_number_total             291
_reflns_observed_criterion       2
_cod_data_source_file            ic026124p-2_s1_2.cif
_cod_data_source_block           BaLiOsO
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'Ba3 Li1 Os2 O9'
_cod_database_code               4313193