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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542076.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_1542076
loop_
_publ_author_name
'Pyatenko, Yu.A.'
'Pudovkina, Z.V.'
_publ_section_title
;
 Crystal structure of narsarsukite
;
_journal_name_full               Kristallografiya
_journal_page_first              563
_journal_page_last               573
_journal_volume                  5
_journal_year                    1960
_chemical_formula_sum            'Fe0.25 H0.5 Na2 O11 Si4 Ti0.75'
_chemical_name_systematic
'Na2 (Ti0.75 Fe0.25) (O0.5 (O H)0.5) (Si4 O10)'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.72
_cell_length_b                   10.72
_cell_length_c                   7.99
_cell_volume                     918.198
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pyatenko_KRISAJ_1960_29.cif
_cod_data_source_block           H0.5Fe0.25Na2O11Si4Ti0.75
_cod_original_cell_volume        918.1981
_cod_original_formula_sum        'H0.5 Fe0.25 Na2 O11 Si4 Ti0.75'
_cod_database_code               1542076
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
O2 O-2 0.178 0.049 0.225 1 0.0
O4 O-2 0 0 0.5 1 0.0
Fe1 Fe+2 0 0 0.25 0.25 0.0
Na1 Na+1 0.135 0.185 0 1 0.0
O3 O-2 0.402 0.134 0.302 1 0.0
Si1 Si+4 0.307 0.013 0.298 1 0.0
O5 O-2 0 0 0 1 0.0
Ti1 Ti+4 0 0 0.25 0.75 0.0
O1 O-2 0.025 0.299 0.5 1 0.0
