KSm(MoO~4~)~2~, an incommensurately modulated and partially disordered scheelite-like structure
Arakcheeva, Alla; Pattison, Philip; Chapuis, Gervais; Rossell, Marta; Filaretov, Andrey; Morozov, Vladimir; Van Tendeloo, Gustaaf; Acta Crystallographica Section B 64 (2008) 160–171; doi:10.1107/S0108768108001870

data_2104095
_publ_section_title
;
 KSm(MoO~4~)~2~, an incommensurately modulated and partially disordered
 scheelite-like structure
;
_journal_coeditor_code           SN5063
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              160
_journal_page_last               171
_journal_paper_doi               10.1107/S0108768108001870
_journal_volume                  64
_journal_year                    2008
_chemical_formula_analytical     KSm(MoO4)2
_chemical_formula_iupac          KSm(MoO4)2
_chemical_formula_moiety         '(K1+),(Sm3+),(MoO4 2-)2'
_chemical_formula_structural     KSm(MoO4)2
_chemical_formula_sum            'K Mo2 O8 Sm'
_chemical_formula_weight         509.3
_chemical_name_common            KSm(MoO4)2
_chemical_name_systematic        ' potassium samarium molybdenum oxide'
_space_group_ssg_name            I2/b(\a\b0)00
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.1388(5)
_cell_formula_units_Z            2
_cell_length_a                   5.5279(2)
_cell_length_b                   5.2994(2)
_cell_length_c                   11.78410(10)
_cell_measurement_temperature    273
_cell_modulation_dimension       1
_cell_volume                     345.142(18)
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  MAR345
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7114
_exptl_absorpt_coefficient_mu    12.588
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.8993
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_F_000             458
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    none
_refine_ls_number_constraints    none
_refine_ls_number_parameters     42
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0139
_refine_ls_R_factor_gt           0.0139
_refine_ls_shift/su_max          0.0018
_refine_ls_shift/su_mean         0.0002
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0160
_refine_ls_wR_factor_ref         0.0160
_cod_data_source_file            sn5063.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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        345.1445
_cod_original_formula_sum        'K1 Mo2  O8  Sm1'
_cod_database_code               2104095