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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/18/2001843.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_2001843
loop_
_publ_author_name
'Elmokhtar, O. S. M. M.'
'Rzaigui, M.'
'Jouini, A.'
_publ_section_title
;
 Structure of dilithium tetraammonium cyclo-hexaphosphate
 tetrahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              435
_journal_page_last               437
_journal_paper_doi               10.1107/S0108270192008023
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'H16 Li2 N4 O18 P6,4(H2 O1)'
_chemical_formula_sum            'H24 Li2 N4 O22 P6'
_chemical_formula_weight         631.93
_symmetry_cell_setting           monoclinic
_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                 106.260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.429(2)
_cell_length_b                   15.824(3)
_cell_length_c                   7.9310(10)
_cell_volume                     1136.0(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.562
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_F_000             648
_cod_data_source_file            du0331.cif
_cod_data_source_block           du0331_structure_1_of_1
_cod_original_cell_volume        1136
_cod_database_code               2001843
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P(1) .50460(8) .11912(4) .12998(9)
P(2) .21096(8) .40084(5) .39760(10)
P(3) .76155(8) .03347(5) .35240(10)
O(E11) .5735(2) .14560(10) -.0089(3)
O(E12) .4772(3) .18520(10) .2492(3)
O(L12) .3554(2) .43240(10) .5462(3)
O(L23) .1696(2) .01500(10) .7844(3)
O(E21) .2532(2) .33150(10) .2962(3)
O(E22) .0912(2) .3873(2) .4813(3)
O(E31) .2380(3) .02220(10) .4974(3)
O(E32) .8321(2) .11710(10) .3812(3)
O(L13) .5913(2) .45800(10) .7419(3)
O(W1) .4841(3) .1319(2) .5816(3)
O(W2) .8195(3) .2621(2) .1205(4)
N(1) .0992(3) .3278(2) .8179(4)
N(2) .7905(3) .4116(2) .3103(4)
Li .4482(6) .3030(4) .2694(7)
H1(W1) .403(6) .092(4) .555(8)
H2(W1) .489(5) .348(3) -.001(7)
H1(W2) .817(5) .206(3) .539(7)
H2(W2) .765(6) .226(4) .105(8)
H1(N1) .116(6) .347(3) .729(7)
H2(N1) .864(5) .776(3) .682(7)
H3(N1) .861(5) .632(3) .091(7)
H4(N1) .979(6) .830(4) .673(8)
H1(N2) .113(5) .587(3) .623(6)
H2(N2) .205(5) .864(3) .247(6)
H3(N2) .787(6) .048(4) .726(8)
H4(N2) .267(6) .591(4) .615(8)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
P(2) P(1) P(3) 145.76(3)
P(1) P(2) P(3) 105.00(3)
P(1) P(3) P(2) 97.97(3)
P(1) O(L12) P(2) 127.70(10)
P(1) O(L13) P(3) 130.40(10)
P(2) O(L23) P(3) 134.3(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(W1) H1(W1) 0.97(6)
O(W1) H2(W1) 0.75(5)
O(W2) H1(W2) 0.82(5)
O(W2) H2(W2) 0.76(6)
N(1) H1(N1) 0.82(6)
N(1) H2(N1) 0.90(5)
N(1) H3(N1) 0.96(5)
N(1) H4(N1) 0.76(6)
N(2) H1(N2) 0.91(4)
N(2) H2(N2) 0.89(5)
N(2) H3(N2) 0.92(6)
N(2) H4(N2) 0.91(7)
P(1) O(E11) 1.487(3)
P(1) O(E12) 1.480(2)
P(1) O(L12) 1.600(2)
P(1) O(L13) 1.593(2)
P(2) O(E21) 1.478(3)
P(2) O(E22) 1.477(3)
P(2) O(L12) 1.611(2)
P(2) O(L23) 1.592(2)
P(3) O(E31) 1.481(2)
P(3) O(E32) 1.469(2)
P(3) O(L23) 1.606(3)
P(3) O(L13) 1.605(2)
