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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/7/22/10/7221039.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_7221039
loop_
_publ_author_name
'Floros, N.'
'Raveau, B.'
'Hervieu, M.'
'Michel, C.'
_publ_section_title
;
 New n=2 members of the Li2 Srn-1 Mn O3n+1 family, closely related to the
 Ruddlesden-Popper phases: structure and non-stoichiometry
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3101
_journal_page_last               3106
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Li2 Nb2 O7 Sr'
_chemical_name_systematic        'Li2 Sr (Nb2 O7)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.0071
_cell_length_b                   5.5979
_cell_length_c                   5.592
_cell_volume                     563.684
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Floros_JMACEP_1999_144.cif
_cod_data_source_block           Li2Nb2O7Sr1
_cod_original_cell_volume        563.6844
_cod_original_formula_sum        'Li2 Nb2 O7 Sr1'
_cod_database_code               7221039
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
Nb1 Nb+5 0.115 0.7503 0.25 1 0.0
Li1 Li+1 0.2596 0 0 1 0.0
O2 O-2 0.2182 0.7766 0.25 1 0.0
O4 O-2 0.0982 0 0 1 0.0
O1 O-2 0 0.7125 0.25 1 0.0
Sr1 Sr+2 0 0.2514 0.25 1 0.0
O3 O-2 0.6144 0 0 1 0.0
