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_2015098
_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          'La4 Ru2 O10'
_chemical_formula_moiety         'La4 O10 Ru2'
_chemical_formula_sum            'La4 O10 Ru2'
_chemical_formula_weight         917.78
_chemical_name_systematic
;
dilanthanum ruthenium pentoxide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.78(8)
_cell_angle_beta                 101.00(8)
_cell_angle_gamma                91.76(8)
_cell_formula_units_Z            2
_cell_length_a                   9.1614(8)
_cell_length_b                   5.8075(5)
_cell_length_c                   7.9584(8)
_cell_measurement_temperature    1.49(2)
_cell_volume                     415.45(13)
_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      1.49(2)
_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       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2087
_diffrn_reflns_theta_full        87.21
_diffrn_reflns_theta_max         87.21
_diffrn_reflns_theta_min         4.765
_exptl_absorpt_coefficient_mu    0.2948
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
;
(Rodr\'iguez-Carvajal, 1990)
;
_exptl_crystal_density_diffrn    7.337
_exptl_crystal_density_method    'Not Measured'
_refine_ls_goodness_of_fit_all   1.62
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     68
_refine_ls_restrained_S_all      1.62
_refine_ls_R_factor_all          0.0179
_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             2087
_cod_data_source_file            ty1006.cif
_cod_data_source_block           LT
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 
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_cod_database_code               2015098