#------------------------------------------------------------------------------
#$Date: 2015-09-09 23:03:11 +0200 (Wed 09 de Sep de 2015) $
#$Revision: 155796 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530658.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_1530658
loop_
_publ_author_name
'Rudolf, P.R.'
'Clearfield, A.'
'Jorgensen, J.D.'
_publ_section_title
;
 Time of flight neutron powder Rietveld refinement study of elevated
 temperature on a monoclinic near-stoichiometric NASICON
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              100
_journal_page_last               112
_journal_volume                  72
_journal_year                    1988
_chemical_formula_sum            'Na2.55 O12 P1.09 Si1.91 Zr1.952'
_chemical_name_systematic        'Na3.17 Zr1.93 (Si O4)1.9 (P O4)1.1'
_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                 124.193
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6909
_cell_length_b                   9.0525
_cell_length_c                   9.3065
_cell_volume                     1093.419
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rudolf_JSSCBI_1988_1575.cif
_cod_data_source_block           Na2.55O12P1.09Si1.91Zr1.952
_cod_database_code               1530658
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
O3 O-2 0.2537 0.1744 0.2169 1 0.0
O5 O-2 0.4527 0.1751 0.4274 1 0.0
O4 O-2 0.3744 0.1286 0.1019 1 0.0
P2 P+5 0.3597 0.1048 0.2596 0.3 0.0
Zr1 Zr+4 0.1023 0.2531 0.0543 0.976 0.0
P1 P+5 0 0.0391 0.25 0.49 0.0
Na2 Na+1 0.5 0.9015 0.25 0.77 0.0
O2 O-2 0.4301 0.4429 0.0827 1 0.0
Na1 Na+1 0.25 0.25 0.5 0.56 0.0
Si2 Si+4 0.3597 0.1048 0.2596 0.7 0.0
Na3 Na+1 0.8042 0.0407 0.6711 0.61 0.0
Si1 Si+4 0 0.0391 0.25 0.51 0.0
O6 O-2 0.0802 0.1392 0.2414 1 0.0
O1 O-2 0.1407 0.4324 0.2055 1 0.0
