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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/54/1535478.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_1535478
loop_
_publ_author_name
'Hoenle, W.'
'Schmettow, W.'
'Peters, K.'
'von Schnering, H.G.'
'Chang Jenhui'
_publ_section_title
;
 The henicosaphosphide iodides of potassium and rubidium, K4 P21 I and Rb4
 P21 I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1858
_journal_page_last               1862
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'I K4 P21'
_chemical_name_systematic        'K4 P21 I'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2 (y,-x,z)'
_symmetry_space_group_name_H-M   'C m c m (b,-a,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.853
_cell_length_b                   21.795
_cell_length_c                   9.748
_cell_volume                     2730.718
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoenle_ZAACAB_2004_894.cif
_cod_data_source_block           I1K4P21
_cod_original_sg_symbol_H-M      'C c m m'
_cod_original_formula_sum        'I1 K4 P21'
_cod_database_code               1535478
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,-z
x,-y,-z+1/2
-x,-y,-z
x,y,-z-1/2
x,-y,z
-x,y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
x+1/2,-y+1/2,z
-x+1/2,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
P2 P 0.8546 0 0.0852 1 0.0
P1 P 0.2179 0.279 0.0852 1 0.0
K2 K 0.1626 0.0872 0.25 1 0.0
P6 P 0.3436 0.3486 0.0743 1 0.0
P8 P 0.9638 0 0.25 1 0.0
P3 P 0.2745 0.219 0.25 1 0.0
P4 P 0.4491 0.3252 0.25 1 0.0
P5 P 0.2434 0.4254 0.135 1 0.0
P7 P 0.441 0.2267 0.25 1 0.0
I1 I 0.4023 0 0.25 1 0.0
K1 K 0 0.3798 0 1 0.0