Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~
Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout; Inorganic Chemistry 44 (2005) 6463–6469; doi:10.1021/ic050561x

data_4309517
_publ_contact_author_address
;
     Colorado State University
     Department of Chemistry
     C205 Chemistry
     Fort Collins, CO  80523
     USA
;
_publ_contact_author_email       pkd@lamar.colostate.edu
_publ_contact_author_name        'Dr. Peter K. Dorhout'
_publ_contact_author_phone       970-491-0624
_publ_section_title
;
Three New Phases in the K/Cu/Th /S System:  
KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6463
_journal_page_last               6469
_journal_paper_doi               10.1021/ic050561x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'Cu3 K3 S7 Th2'
_chemical_formula_sum            'Cu3 K3 S7 Th2'
_chemical_formula_weight         996.42
_chemical_name_systematic
;
tripotassium tricopper dithorium heptasulfide
;
_space_group_IT_number           60
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_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    27.559
_exptl_absorpt_correction_T_max  1
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_meas      0
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_exptl_crystal_description       rod
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1345P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                705
_reflns_number_total             1723
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic050561xsi20050411_072826_3.cif
_cod_data_source_block           III
_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 
;
_cod_original_cell_volume        1399.4(13)
_cod_database_code               4309517