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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/2/10/63/2106304.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_2106304
loop_
_publ_author_name
'Durand, J.'
'le Cot, L.'
'Galigne, J.L.'
_publ_section_title
;
 Etudes structurales de composes oxyfluores du P(V). V. Structure
 cristalline de Li N H4 P O3 F
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              388
_journal_page_last               391
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'F H4 Li N O3 P'
_chemical_name_systematic        'Li N H4 P O3 F'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.82
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.463
_cell_length_b                   5.049
_cell_length_c                   14.362
_cell_volume                     396.102
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Durand_ACBCAR_1978_1117.cif
_cod_data_source_block           H4F1Li1N1O3P1
_cod_original_formula_sum        'H4 F1 Li1 N1 O3 P1'
_cod_database_code               2106304
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
O1 O-2 0.8733 0.078 0.2905 1 0.0
Li1 Li+1 0.1862 0.9424 0.2455 1 0.0
O2 O-2 0.4335 0.9926 0.3383 1 0.0
P1 P+5 0.7017 0.9414 0.3562 1 0.0
H2 H+1 0.693 0.802 0.105 1 0.0
F1 F-1 0.7553 0.0782 0.4543 1 0.0
H3 H+1 0.904 0.013 0.094 1 0.0
H4 H+1 0.653 0.058 0.125 1 0.0
H1 H+1 0.75 0.045 0.021 1 0.0
O3 O-2 0.76 0.6524 0.3732 1 0.0
N1 N-3 0.7545 0.9504 0.0786 1 0.0
