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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/1/52/69/1526902.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_1526902
loop_
_publ_author_name
'Vitins, G.'
'Kanepe, Z.'
'Vitins, A.'
'Dindune, A.'
'Ronis, J.'
'Lusis, A.'
_publ_section_title
;
 Structural and conductivity studies in Li Fe P2 O7, Li Sc P2 O7 and Na Sc
 P2 O7
;
_journal_name_full               'Journal of Solid State Electrochemistry'
_journal_page_first              146
_journal_page_last               152
_journal_volume                  4
_journal_year                    2000
_chemical_formula_sum            'Li O7 P2 Sc'
_chemical_name_systematic        'Li Sc (P2 O7)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.71
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.021
_cell_length_b                   8.393
_cell_length_c                   4.94
_cell_volume                     274.046
_citation_journal_id_ASTM        JSSEFS
_cod_data_source_file            Vitins_JSSEFS_2000_141.cif
_cod_data_source_block           Li1O7P2Sc1
_cod_original_cell_volume        274.0455
_cod_original_formula_sum        'Li1 O7 P2 Sc1'
_cod_database_code               1526902
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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 0.401 0.19 0.6 1 0.0
O1 O-2 0.13 0.199 0.884 1 0.0
O5 O-2 0.115 0.818 0.925 1 0.0
Li1 Li+1 0.337 0.365 0.804 1 0.0
O6 O-2 0.497 0.035 0.194 1 0.0
P2 P+5 0.08 0.79 0.205 1 0.0
O7 O-2 0.232 0.641 0.384 1 0.0
O3 O-2 0.496 0.841 0.762 1 0.0
Sc1 Sc+3 0.268 0 0.791 1 0.0
O4 O-2 0.072 0.935 0.388 1 0.0
P1 P+5 0.473 0.679 0.592 1 0.0
