#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/23/1532303.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_1532303
loop_
_publ_author_name
'Sokolova, E.'
'Hawthorne, F.C.'
_publ_section_title
;
 Reconsideration of the crystal structure of paranatisite and the crystal
 chemistry of ((6)M2 (4)T2 phi12) sheets
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              947
_journal_page_last               960
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'Fe0.24 H0.04 Na3.9 O10 Si2 Ti1.86'
_chemical_name_systematic
;
(Na3.9 Fe0.1) (Ti1.86 Fe0.14 O1.96 (O H)0.04) (Si O4)2
;
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.181
_cell_length_b                   4.8
_cell_length_c                   9.811
_cell_volume                     432.359
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Sokolova_CAMIA6_2002_667.cif
_cod_data_source_block           H0.04Fe0.24Na3.9O10Si2Ti1.86
_cod_original_formula_sum        'H0.04 Fe0.24 Na3.9 O10 Si2 Ti1.86'
_cod_database_code               1532303
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,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
Na1 Na+1 0.75045 0.4965 0.4614 0.975 0.0
O2 O-2 0.6497 0.7522 0.273 1 0.0
Fe4 Fe+2 0.5 0.0926 -0.0406 0.025 0.0
Ti1 Ti+4 0 0.0342 0.4594 1 0.0
O6 O-2 0.5 0.6467 0.0112 1 0.0
Si1 Si+4 0.24961 -0.0004 0.2095 1 0.0
Fe1 Fe+3 0.5 0.47771 0.2422 0.14 0.0
Na2 Na+1 0 0.498 0.2138 0.975 0.0
O4 O-2 0.1469 0.1452 0.3229 1 0.0
Ti2 Ti+4 0.5 0.5248 0.1782 0.5 0.0
O3 O-2 0 0.6798 0.4622 1 0.0
Ti3 Ti+4 0.5 0.4777 0.2422 0.36 0.0
Na3 Na+1 0.5 0.0926 -0.0406 0.975 0.0
O5 O-2 0.3511 0.2394 0.1396 1 0.0
Fe2 Fe+2 0.75045 0.4965 0.4614 0.025 0.0
O1 O-2 0.1461 0.1443 0.5934 1 0.0
Fe3 Fe+2 0 0.498 0.2138 0.025 0.0
