#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530759.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_1530759
loop_
_publ_author_name
'Sidorenko, O.V.'
'Zvyagin, B.B.'
'Soboleva, S.V.'
_publ_section_title
;
 Refinment of the crystal structure of 2M1 paragonite by the method of
 high-voltage electron diffraction
;
_journal_name_full               Kristallografiya
_journal_page_first              971
_journal_page_last               975
_journal_volume                  22
_journal_year                    1977
_chemical_formula_sum            'Al3.02 H2 Na O12 Si2.98'
_chemical_name_systematic        'Na Al2 (Si2.98 Al1.02 O10) (O H)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.135
_cell_length_b                   8.894
_cell_length_c                   19.36499
_cell_volume                     882.071
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Sidorenko_KRISAJ_1977_248.cif
_cod_data_source_block           H2Al3.02Na1O12Si2.98
_cod_original_cell_volume        882.0712
_cod_original_formula_sum        'H2 Al3.02 Na1 O12 Si2.98'
_cod_database_code               1530759
loop_
_symmetry_equiv_pos_as_xyz
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
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
Al3 Al+3 0.441 0.252 0.1396 0.255 0.0
O1 O-2 0.94 0.072 0.0537 1 0.0
O3 O-2 0.396 0.245 0.0547 1 0.0
Si2 Si+4 0.441 0.252 0.1396 0.745 0.0
O5 O-2 0.258 0.386 0.1738 1 0.0
O2 O-2 0.958 0.436 0.0566 1 0.0
O4 O-2 0.753 0.294 0.168 1 0.0
O6 O-2 0.373 0.093 0.1748 1 0.0
Na1 Na+1 0 0.093 0.25 1 0.0
Al2 Al+3 0.946 0.421 0.1406 0.255 0.0
Al1 Al+3 0.257 0.413 0 1 0.0
Si1 Si+4 0.946 0.421 0.1406 0.745 0.0
