Lanthanum selenite, La~2~(SeO~3~)~3~
Harrison, William T. A.; Acta Crystallographica Section C 56 (2000) 627–628; doi:10.1107/S0108270100003164

data_2010987
_publ_section_title
;
 Lanthanum selenite, La~2~(SeO~3~)~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              627
_journal_page_last               628
_journal_paper_doi               10.1107/S0108270100003164
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         ' La2 (Se O3)3 '
_chemical_formula_sum            'La2 O9 Se3'
_chemical_formula_weight         658.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0725(5)
_cell_length_b                   8.4187(7)
_cell_length_c                   14.2273(11)
_cell_measurement_reflns_used    3360
_cell_measurement_temperature    300
_cell_measurement_theta_max      30
_cell_measurement_theta_min      1
_cell_volume                     847.11(11)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART  (Bruker, 1999)'
_computing_data_reduction        SMART
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and ATOMS (Shape Software, 1999)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1997)'
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area detector'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .05
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7762
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        .00
_exptl_absorpt_coefficient_mu    22.64
_exptl_absorpt_correction_T_max  .424
_exptl_absorpt_correction_T_min  .060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            ' colourless '
_exptl_crystal_density_diffrn    5.17
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' plate '
_exptl_crystal_F_000             1152.00
_exptl_crystal_size_max          .10
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .03
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.06
_refine_ls_extinction_coef       1.8(8)
_refine_ls_extinction_method     'Larson, 1967'
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1079
_refine_ls_R_factor_gt           .026
_refine_ls_shift/su_max          .00006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 0.377 0.275 0.230
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .029
_reflns_number_gt                1079
_reflns_number_total             1271
_reflns_threshold_expression     >1.00\s(I)
_cod_data_source_file            br1284.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic ' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Orthorhombic ' changed to 'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        847.1(2)
_cod_original_sg_symbol_H-M      'P b n m '
_cod_original_formula_sum        ' La2 O9 Se3  '
_cod_database_code               2010987