#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542005.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_1542005
loop_
_publ_author_name
'Maksimov, B.A.'
'Ilyukhin, V.V.'
'Belov, N.V.'
_publ_section_title
;
 Crystal Structure of Potassium Yttrium Triorthosilicate
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              591
_journal_page_last               594
_journal_volume                  181
_journal_year                    1968
_chemical_formula_sum            'H2 K3 O10 Si3 Y'
_chemical_name_systematic        'K3 Y Si3 O8 (O H)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.536
_cell_length_b                   13.17
_cell_length_c                   5.867
_cell_volume                     1045.905
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Maksimov_DANKAS_1968_567.cif
_cod_data_source_block           H2K3O10Si3Y1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'H2 K3 O10 Si3 Y1'
_cod_database_code               1542005
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y,-z
-x,-y,-z
x,y-1/2,-z-1/2
x-1/2,-y-1/2,z-1/2
-x-1/2,y,z
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
Si1 Si+4 0.396 0.401 0.089 1 0.0
O3 O-2 0.017 0.129 0.581 1 0.0
O2 O-2 -0.131 0.045 0.832 1 0.0
K1 K+1 0.25 0.129 0.412 1 0.0
Si2 Si+4 0.75 0.252 0.418 1 0.0
O4 O-2 -0.156 0.212 0.57 1 0.0
O1 O-2 -0.131 0.031 0.368 1 0.0
O6 O-2 0.75 0.375 0.434 1 0.0
O5 O-2 0.75 0.205 0.164 1 0.0
Y1 Y+3 0.75 0.041 0.089 1 0.0
K2 K+1 0.485 0.139 0.091 1 0.0
