High- and low-temperature La~2~RuO~5~ by powder neutron diffraction
Stefan G. Ebbinghaus; Acta Crystallographica Section C 61 (2005) i96–i98; doi:10.1107/S010827010501509X

data_2015097
_publ_section_title
;
 High- and low-temperature La~2~RuO~5~ by powder neutron diffraction
;
_journal_coeditor_code           TY1006
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i96
_journal_page_last               i98
_journal_paper_doi               10.1107/S010827010501509X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'La2 Ru O5'
_chemical_formula_moiety         'La2 O5 Ru'
_chemical_formula_sum            'La2 O5 Ru'
_chemical_formula_weight         458.89
_chemical_name_systematic
;
dilanthanum ruthenium pentoxide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.79(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1850(4)
_cell_length_b                   5.8294(2)
_cell_length_c                   7.9552(3)
_cell_measurement_temperature    293
_cell_volume                     418.41(4)
_computing_cell_refinement       'Fullprof2000 (Rodr\'iguez-Carvajal, 1990)'
_computing_data_collection
'SINQ Instrument Control System (SICS) (reference?)'
_computing_data_reduction        'SINQ Instrument Control System (SICS)'
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 1995)'
_computing_publication_material  'program (reference?)'
_computing_structure_refinement
;
Fullprof2000
;
_computing_structure_solution    'program (reference?)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'SINQ HRPT'
_diffrn_radiation_monochromator  'Ge (533)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.4935
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1054
_diffrn_reflns_theta_full        86.42
_diffrn_reflns_theta_max         86.42
_diffrn_reflns_theta_min         4.75
_exptl_absorpt_coefficient_mu    0.2927
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
;
(Rodr\'iguez-Carvajal, 1990)
;
_exptl_crystal_density_diffrn    7.285
_exptl_crystal_density_method    'Not Measured'
_refine_ls_goodness_of_fit_all   1.61
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     46
_refine_ls_restrained_S_all      1.61
_refine_ls_R_factor_all          0.0258
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_total             1054
_cod_data_source_file            ty1006.cif
_cod_data_source_block           HT
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        418.42(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015097