A New Synthetic Fluoride Phosphate of Mixed-Valence Iron: Cs~8~Fe~8~^3+^Fe~7~^2+^F~10~(PO~4~)~12~
Frenzen, G.; Yakubovich, O. V.; Mel'nikov, O. K.; Acta Crystallographica Section C 52 (1996) 749–753; doi:10.1107/S0108270195015472

data_2004758
_publ_contact_author             'Gerlinde Frenzen'
_publ_section_title
;
 A New Synthetic Fluoride Phosphate of Mixed-Valence Iron:
 Cs~8~Fe~8~^3+^Fe~7~^2+^F~10~(PO~4~)~12~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              749
_journal_page_last               753
_journal_paper_doi               10.1107/S0108270195015472
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'Cs8 Fe15 F10 (P O4 )12 '
_chemical_formula_sum            'Cs8 F10 Fe15 O48 P12'
_chemical_formula_weight         3230.67
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
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_cell_angle_gamma                90.00
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_cell_length_b                   12.296(7)
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_computing_cell_refinement       'CAD4 EXPRESS'
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_computing_data_reduction        'XCAD4 (Sheldrick, 1992)'
_computing_molecular_graphics
;
TROMPLEU (Gravereau, Larroche & leLirzin, 1991) and
ZORTEP (Zsolnai, 1994)
;
_computing_publication_material  SHELXL93
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_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
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'w = 1/[\s^2^(Fo^2^)+(0.0392P)^2^+94.7503P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            jz1087.cif
_cod_data_source_block           sphere2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (33
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (96 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'no measurement' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0392P)^2^+94.7503P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0392P)^2^+94.7503P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5096.(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004758