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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/2/10/74/2107407.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_2107407
loop_
_publ_author_name
'Laugt, M.'
'Tordjman, I.'
'Guitel, J.C.'
'Roudaut, M.'
_publ_section_title
;
 Structure cristalline du polyphosphate de cuivre-lithium Cu Li (P O3)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2352
_journal_page_last               2358
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cu Li O9 P3'
_chemical_name_systematic        'Cu Li (P O3)3'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.703
_cell_length_b                   8.197
_cell_length_c                   8.613
_cell_volume                     614.438
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Laugt_ACBCAR_1972_325.cif
_cod_data_source_block           Cu1Li1O9P3
_cod_original_cell_volume        614.4384
_cod_original_formula_sum        'Cu1 Li1 O9 P3'
_cod_database_code               2107407
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
Li1 Li+1 0.3956 0.1278 0.9205 1 0.0
O3 O-2 0.1537 0.0632 0.9151 1 0.0
P3 P+5 0.2673 0.4336 0.0601 1 0.0
O7 O-2 0.486 0.2097 0.4089 1 0.0
Cu1 Cu+2 0.117 0.0969 0.1384 1 0.0
P1 P+5 0.4485 0.0468 0.3146 1 0.0
O5 O-2 0.8553 0.1274 0.0761 1 0.0
O9 O-2 0.1177 0.53 0.6977 1 0.0
O8 O-2 0.2967 0.3869 0.5224 1 0.0
O6 O-2 0.0631 0.1185 0.3613 1 0.0
O4 O-2 0.391 0.0882 0.1588 1 0.0
O2 O-2 0.1215 0.86 0.1717 1 0.0
P2 P+5 0.4372 0.2771 0.5735 1 0.0
O1 O-2 0.1359 0.3345 0.118 1 0.0
