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#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/13/2101349.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101349
loop_
_publ_author_name
'Haile, S. M.'
'Maier, J.'
'Wuensch, B. J.'
'Laudise, R. A.'
_publ_section_title
;
 Structure of Na~3~YSi~6~O~15~ -- a unique silicate based on discrete
 Si~6~O~15~ units, and a possible fast-ion conductor
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              673
_journal_page_last               680
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Na3 O15 Si6 Y'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2ab -2ab'
_symmetry_space_group_name_H-M   'I b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.468(2)
_cell_length_b                   15.2470(10)
_cell_length_c                   8.3850(10)
_cell_volume                     1338.3(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    2.811
_[local]_cod_data_source_file    du0394.cif
_[local]_cod_data_source_block   du0394a
_cod_database_code               2101349
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y .25 .25 .25
Si(1) -0.03353(8) 0.40244(6) .25
Si(2) -0.28438(6) 0.40016(5) 0.42866(8)
Na(1) .5 0.24005(9) 0
Na(2) 0.4227(4) 0.4606(3) .25
O(1) 0.3481(2) 0.38768(18) .75
O(2) 0.4338(2) 0.17522(16) .25
O(3) 0.62972(15) 0.10678(12) 0.0952(2)
O(4) 0.3210(2) .5 -0.0135(3)
O(5) 0.16320(17) 0.16573(13) 0.0573(2)
O(6) 0.4715(3) 0 .25
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Y O(2) 2.237(2)
Y O(5) 2.256(2)
O(2) O(2) 3.265(3)
O(2) O(2) 3.086(3)
O(2) O(2) 3.147(2)
O(2) O(2) 3.232(4)
O(2) O(2) 4.511(4)
O(2) O(2) 4.473(5)
Si(1) O(2) 1.578(3)
Si(1) O(6) 1.623(2)
Si(1) O(3) 1.648(2)
O(2) O(6) 2.700(2)
O(2) O(3) 2.642(3)
O(6) O(3) 2.661(3)
O(3) O(3) 2.595(3)
Si(2) O(5) 1.573(2)
Si(2) O(3) 1.635(2)
Si(2) O(4) 1.6430(10)
Si(2) O(1) 1.6510(10)
O(5) O(3) 2.672(2)
O(5) O(4) 2.601(2)
O(5) O(1) 2.705(2)
O(3) O(4) 2.670(3)
O(3) O(1) 2.630(3)
O(4) O(1) 2.635(3)
Na(1) O(5) 2.283(2)
Na(1) O(2) 2.4190(10)
Na(1) O(3) 2.571(2)
Na(2) Na(2)' 1.201(8)
Na(2) O(4) 2.525(3)
Na(2) O(1) 2.644(5)
Na(2) O(5) 2.670(4)
Na(2) O(4)' 3.390(4)
Na(2) O(1)' 3.333(5)
Na(2) O(5)' 3.634(4)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Si(2) O(1) Si(2) 130.3(2)
Si(2) O(3) Si(1) 134.10(10)
Si(2) O(4) Si(2) 135.8(2)
Si(2) O(6) Si(2) 132.8(2)
O(2) Si(1) O(6) 115.0(2)
O(2) Si(1) O(3) 109.87(9)
O(2) Y O(2) 93.22(6)
O(2) Y O(2) 86.78(6)
O(2) Y O(2) 88.50(10)
O(2) Y O(2) 91.50(10)
O(2) Y O(2) 180
O(2) Y O(2) 180
O(6) Si(1) O(3) 108.80(10)
O(3) Si(1) O(3) 103.80(10)
O(5) Si(2) O(3) 112.80(10)
O(5) Si(2) O(4) 108.00(10)
O(5) Si(2) O(1) 114.10(10)
O(3) Si(2) O(4) 109.10(10)
O(3) Si(2) O(1) 106.30(10)
O(4) Si(2) O(1) 106.30(10)
_journal_paper_doi 10.1107/S0108768194014096