#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/72/1007241.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_1007241
loop_
_publ_author_name
'Laugt, M'
'Durif, A'
_publ_section_title              'Etude systematique des phosphates condenses'
_journal_coden_ASTM              SESOLV
_journal_name_full
;
Seminaire de Chimie de l'Etat Solide 1971-72
;
_journal_page_first              157
_journal_page_last               175
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_structural     'Li Cu (P O3)3'
_chemical_formula_sum            'Cu Li O9 P3'
_chemical_name_systematic        'Lithium copper catena-phosphate'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                     614.4
_cod_database_code               1007241
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,-y,1/2+z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Li1 Li1+ 4 a 0.3956(52) 0.1278(33) 0.9205(48) 1. 0 d
Cu1 Cu2+ 4 a 0.1170(2) 0.0969(2) 0.1384(2) 1. 0 d
P1 P5+ 4 a 0.4485(5) 0.0468(5) 0.3146(4) 1. 0 d
P2 P5+ 4 a 0.4372(5) 0.2771(5) 0.5735(4) 1. 0 d
P3 P5+ 4 a 0.2673(4) 0.4336(4) 0.0601(5) 1. 0 d
O1 O2- 4 a 0.1359(13) 0.3345(13) 0.1180(13) 1. 0 d
O2 O2- 4 a 0.1215(15) 0.8600(13) 0.1717(11) 1. 0 d
O3 O2- 4 a 0.1537(13) 0.0632(15) 0.9151(13) 1. 0 d
O4 O2- 4 a 0.3910(13) 0.0082(15) 0.1588(11) 1. 0 d
O5 O2- 4 a 0.8553(13) 0.1274(15) 0.0761(14) 1. 0 d
O6 O2- 4 a 0.0631(13) 0.1185(12) 0.3613(14) 1. 0 d
O7 O2- 4 a 0.4860(12) 0.2097(15) 0.4089(13) 1. 0 d
O8 O2- 4 a 0.2967(14) 0.3869(16) 0.5224(14) 1. 0 d
O9 O2- 4 a 0.1177(16) 0.5300(14) 0.6977(13) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1.000
Cu2+ 2.000
P5+ 5.000
O2- -2.000
