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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012821.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012821
loop_
_publ_author_name
'Baur, W. H.'
_publ_section_title
;
 Solid solutions between octahedral and tetrahedral olivine types in
 Li-Zn-germanates
;
_journal_name_full               'Inorganic and Nuclear Chemistry Letters'
_journal_page_first              525
_journal_page_last               527
_journal_paper_doi               10.1016/0020-1650(80)80003-1
_journal_volume                  16
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li3 O4 P'
_chemical_name_mineral           Lithiophosphate
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.1147
_cell_length_b                   10.475
_cell_length_c                   4.9228
_cell_volume                     315.313
_database_code_amcsd             0012724
_exptl_crystal_density_diffrn    2.439
_cod_original_formula_sum        'Li3 P O4'
_cod_database_code               9012821
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1 0.50300 0.16300 0.30100 0.01520
Li2 0.75000 0.42300 0.20200 0.01520
P 0.25000 0.41150 0.30880 0.00494
O1 0.04220 0.34190 0.20550 0.01001
O2 0.25000 0.05180 0.29360 0.00785
O3 0.75000 0.09000 0.12230 0.00684