On the mechanism of triclinic distortion in Chevrel Phase as probed by in-situ neutron diffraction.
Levi, E.; Mitelman, A.; Aurbach, D.; Isnard, O.; Inorganic chemistry 46 (2007) 7528–7535; doi:10.1021/ic7008573

data_4338840
_publ_section_title
;
 On the mechanism of triclinic distortion in Chevrel Phase as probed by
 in-situ neutron diffraction.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7528
_journal_page_last               7535
_journal_paper_doi               10.1021/ic7008573
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'Mg3 Mo18 Se24'
_chemical_formula_sum            'Mg3 Mo18 Se24'
_chemical_formula_weight         3695.04
_chemical_name_common            'Chevrel phase'
_chemical_name_systematic
;
zinc dihydroxide divanadate dihydrate
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            1
_cell_length_a                   9.8489(1)
_cell_length_b                   9.8489(1)
_cell_length_c                   11.0567(2)
_cell_measurement_temperature    573
_cell_volume                     928.82(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      573
_diffrn_measurement_device_type  D1A(ILL)
_diffrn_radiation_monochromator  none
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    6.605
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050000
_pd_meas_2theta_range_max        151.45000
_pd_meas_2theta_range_min        3.00000
_pd_meas_number_of_points        2970
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        153.3398
_pd_proc_2theta_range_min        4.8898
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        5.9744
_pd_proc_ls_prof_wR_expected     4.4414
_pd_proc_ls_prof_wR_factor       7.7601
_pd_spec_mounting                ' powder '
_pd_spec_mount_mode              transmission
_pd_spec_shape                   irregular
_refine_ls_goodness_of_fit_all   3.0527
_refine_ls_number_parameters     46
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.9050
_refine_ls_shift/su_max          0.01
_cod_data_source_file            ic7008573-file003.cif
_cod_data_source_block           MgMo6Se8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Trigonal' changed to 'trigonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               4338840