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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530621.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_1530621
loop_
_publ_author_name
'Pushcharovskii, D.Yu.'
'Karpov, O.G.'
'Pobedimskaya, E.A.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of K3 Nd Si6 O15
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1323
_journal_page_last               1325
_journal_volume                  234
_journal_year                    1977
_chemical_formula_sum            'K3 Nd O15 Si6'
_chemical_name_systematic        'K3 Nd Si6 O15'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.011
_cell_length_b                   14.984
_cell_length_c                   7.276
_cell_volume                     1745.577
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pushcharovskii_DANKAS_1977_219.cif
_cod_data_source_block           K3Nd1O15Si6
_cod_original_formula_sum        'K3 Nd1 O15 Si6'
_cod_database_code               1530621
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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
O2 O-2 0.102 0.383 0 1 0.0
O6 O-2 0.323 0.133 0.5 1 0.0
O7 O-2 0.427 0.07 0.246 1 0.0
O9 O-2 0.448 0.397 0.222 1 0.0
K2 K+1 0.1548 0.1561 0.5 1 0.0
O10 O-2 0.486 0.287 0.5 1 0.0
O4 O-2 0.135 0.061 0 1 0.0
Nd2 Nd+3 0.5 0 0 1 0.0
K1 K+1 0.2912 0.3791 0 1 0.0
Nd1 Nd+3 0 0 0 1 0.0
K3 K+1 0.0705 0.4115 0.5 1 0.0
O1 O-2 0.043 0.244 0.182 1 0.0
Si4 Si+4 0.4624 0.2992 0.2826 1 0.0
O3 O-2 0.183 0.231 0 1 0.0
O8 O-2 0.379 0.239 0.239 1 0.0
Si3 Si+4 0.0909 0.2802 0 1 0.0
Si1 Si+4 0.2101 0.1274 0 1 0.0
Si2 Si+4 0.3551 0.1352 0.2865 1 0.0
O5 O-2 0.268 0.114 0.18 1 0.0
