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#$Date: 2018-02-04 23:21:00 +0100 (dom 04 de feb de 2018) $
#$Revision: 206168 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536752.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536752
loop_
_publ_author_name
'Yakubovich, O.V.'
'Mel'nikov, O.K.'
_publ_section_title
;
 Crystal structure of (Cs0.92 K0.08) Na Fe9 (P O4)6 F2
;
_journal_name_full               Kristallografiya
_journal_page_first              1122
_journal_page_last               1125
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Cs0.92 F2 Fe9 K0.08 Na O24 P6'
_chemical_name_systematic        '(Cs0.92 K0.08) Na Fe9 (P O4)6 F2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-A 2y'
_space_group_name_H-M_alt        'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.51
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.688
_cell_length_b                   10.645
_cell_length_c                   12.371
_cell_volume                     1049.144
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Yakubovich_KRISAJ_1990_1032.cif
_cod_data_source_block           Cs0.92F2Fe9K0.08Na1O24P6
_cod_original_formula_sum        'Cs0.92 F2 Fe9 K0.08 Na1 O24 P6'
_cod_database_code               1536752
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 x,y+1/2,z+1/2
6 -x,y+1/2,-z+1/2
7 -x,-y+1/2,-z+1/2
8 x,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs1 Cs+1 0 0 0 0.92 0.0
Na1 Na+1 0.5 0.5 0 1 0.0
P2 P+5 0.33179 0.25993 0.0831 1 0.0
Fe2 Fe+2 0.18865 0.80701 0.28938 1 0.0
O1 O-2 0.39 0.1259 0.0752 1 0.0
O5 O-2 0.0797 0.5 0.1165 1 0.0
K1 K+1 0.095 0.044 0.019 0.02 0.0
O3 O-2 0.7688 0.3204 0.0398 1 0.0
Fe1 Fe+2 0.5 0 0 1 0.0
F1 F-1 0.7395 0.5 0.2332 1 0.0
O6 O-2 0.9417 0.1214 0.2149 1 0.0
P1 P+5 0.1277 0 0.75157 1 0.0
Fe3 Fe+2 0 0.35293 0 1 0.0
O2 O-2 0.6804 0 0.1824 1 0.0
O4 O-2 0.195 0.7499 0.1349 1 0.0
O7 O-2 0.4785 0.6536 0.1527 1 0.0
Fe4 Fe+2 0.48105 0 0.23265 1 0.0
