A New Approach to Synthesis of Layered Fluorites Containing Molecular Anions: Synthesis of Ln2O2CO3, K(LnO)CO3, and Ln2O2CrO4 via Metathesis Reactions
Dmitri O. Charkin; Roman O. Grischenko; Arman A. Sadybekov; Richard J. Goff; Philip Lightfoot; Inorganic Chemistry 47 (2008) 3065–3071; doi:10.1021/ic701558m

data_4304121
_publ_contact_author_address
; 
Inorganic Chemistry Division, 
Chemistry Department, Moscow State 
University Leninskie Gory 1 Moscow 
119991 Russia
;
_publ_contact_author_email       charkin@inorg.chem.msu.ru
_publ_contact_author_fax         +7-495-9390998
_publ_contact_author_name        'Charkin, Dmitri O.'
_publ_contact_author_phone       +7-495-9393504
_publ_section_title
;
A New Approach to Synthesis of Layered Fluorites Containing Molecular
Anions: Synthesis of Ln2O2CO3, K(LnO)CO3, and Ln2O2CrO4 via Metathesis
Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3065
_journal_page_last               3071
_journal_paper_doi               10.1021/ic701558m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Cr La2 O6'
_chemical_formula_weight         425.80
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_author_name               La2CrO6
_audit_creation_date             2007-08-02T16:19
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2007-08-02T16:19  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.3624(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.4001(2)
_cell_length_b                   4.40948(8)
_cell_length_c                   8.4719(1)
_cell_volume                     513.429(13)
_computing_structure_refinement  GSAS
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.59432
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2007-08-02T16:19|LA2CRO6|La2CrO6|D2b
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_phase_name                   La2CrO6
_pd_proc_info_datetime           2007-08-02T16:19:53
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 2 with  9 terms.
 Cosine Fourier series
      1:    37.1431     2:   -4.85167     3:    5.78414     4:  -0.289947    
      5:    3.92405     6:  -0.900066     7:    1.65111     8:   0.328564    
      9:    1.58250    
;
_pd_proc_ls_peak_cutoff          0.00050
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Peak tails are ignored  where the intensity is below 0.0005 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0436
_pd_proc_ls_prof_wR_expected     0.1309
_pd_proc_ls_prof_wR_factor       0.0563
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   0.43
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.05146
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic701558m_si.cif
_cod_data_source_block           LA2CRO6_publ
_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 (61
time).

'_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 (26 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        513.43(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4304121
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000