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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/1/53/04/1530410.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_1530410
loop_
_publ_author_name
'Merinov, B.V.'
'Belov, N.V.'
'Maksimov, B.A.'
_publ_section_title
;
 The crystal structure of Na3 Y Si2 O7
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1128
_journal_page_last               1130
_journal_volume                  260
_journal_year                    1981
_chemical_formula_sum            'Na3 O7 Si2 Y'
_chemical_name_systematic        'Na3 Y Si2 O7'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.422
_cell_length_b                   9.422
_cell_length_c                   13.79
_cell_volume                     1060.184
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Merinov_DANKAS_1981_1605.cif
_cod_data_source_block           Na3O7Si2Y1
_cod_original_formula_sum        'Na3 O7 Si2 Y1'
_cod_database_code               1530410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,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
Na2 Na+1 0.3301 0.3143 0.5875 1 0.0
Y2 Y+3 0.3333 0.6667 0.0189 1 0.0
Na3 Na+1 0.6667 0.3333 0.75 1 0.0
Na1 Na+1 0 0 0.5 1 0.0
O3 O-2 0.4402 0.2694 0.4335 1 0.0
Na4 Na+1 0.6667 0.3333 0.271 0.5 0.0
O4 O-2 0.1503 0.1981 0.3612 1 0.0
O1 O-2 0.123 0.608 0.1209 1 0.0
Si1 Si+4 0.3471 0.3277 0.1412 1 0.0
Y1 Y+3 0 0 0.25 1 0.0
O2 O-2 0.417 0.32 0.25 1 0.0
