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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/16/2001659.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_2001659
loop_
_publ_author_name
'Foulon, J.-D.'
'Tijani, N.'
'Durand, J.'
'Rafiq, M.'
'Cot, L.'
_publ_section_title
;
 Structure de Eu₂(PO₃H)₃.2,5H₂O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              849
_journal_page_last               851
_journal_paper_doi               10.1107/S0108270192012587
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Eu2 H3 O9 P3,2.5(H2 O1)'
_chemical_formula_sum            'Eu2 H8 O11.5 P3'
_chemical_formula_weight         588.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.660(10)
_cell_angle_beta                 80.640(10)
_cell_angle_gamma                73.970(10)
_cell_formula_units_Z            2
_cell_length_a                   6.6080(10)
_cell_length_b                   6.8990(10)
_cell_length_c                   12.977(2)
_cell_volume                     558.88(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.60
_exptl_crystal_density_diffrn    3.500
_exptl_crystal_density_meas      3.480(10)
_exptl_crystal_F_000             542
_cod_data_source_file            du1019.cif
_cod_data_source_block           du1019_structure_1_of_1
_cod_original_cell_volume        556.4(2)
_cod_database_code               2001659
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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
Eu(1) .15080(10) .36310(10) .12250(3) .0200(2)
Eu(2) .83770(10) .21610(10) .3997(3) .0110(2)
P(1) .3281(2) .1389(2) .37930(10) .0120(10)
P(2) .6489(3) .4632(2) .14480(10) .0260(10)
P(3) .9936(2) .9032(3) .1861(2) .0270(10)
O(11) .4745(8) .2480(8) .4136(4) .017(3)
O(12) .1825(8) .0682(7) .4715(4) .015(3)
O(13) .1783(8) .2735(9) .3061(4) .024(3)
O(21) .7925(8) .3557(9) .2280(4) .027(3)
O(22) .4972(8) .3484(10) .1262(4) .030(3)
O(23) .8049(9) .5006(11) .0484(4) .041(4)
O(31) .9474(9) .9346(8) .3029(4) .026(3)
O(32) .0764(12) .6799(10) .1740(5) .048(4)
O(33) .1393(10) .0293(10) .1264(5) .038(4)
O(W1) .7637(9) .3313(8) .5775(4) .027(3)
O(W2) .7644(11) .5878(9) .3935(5) .38(4)
O(W3) .5612(19) .9061(17) .9964(10) .035(7)
H(1) .4506 .0388 .2988 .020
H(2) .5584 .6515 .1752 .020
H(3) .8155 .9752 .1398 .020
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(11) P(1) O(12) 112.4(3)
O(11) P(1) O(13) 112.7(3)
O(12) P(1) O(13) 104.8(3)
O(11) P(1) H(1) 103.0
O(12) P(1) H(1) 130.4
O(13) P(1) H(1) 91.4
O(21) P(2) O(22) 113.7(3)
O(21) P(2) O(23) 103.9(3)
O(22) P(2) O(23) 114.4(4)
O(21) P(2) H(2) 105.2
O(22) P(2) H(2) 115.5
O(23) P(2) H(2) 102.7
O(31) P(3) O(32) 108.7(3)
O(31) P(3) O(33) 111.9(4)
O(32) P(3) O(33) 113.8(4)
O(31) P(3) H(3) 110.9
O(32) P(3) H(3) 108.8
O(33) P(3) H(3) 102.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(W1) O(W2) 2.780(10)
O(W1) O(11) 2.900(10)
O(W1) O(12) 2.820(10)
O(W1) O(31) 2.780(10)
O(W2) O(21) 2.790(10)
O(W2) O(31) 3.000(10)
O(W2) O(11) 2.910(10)
O(W3) O(23) 2.870(10)
O(W3) O(33) 2.980(10)
P(1) O(11) 1.526(5)
P(1) O(12) 1.527(5)
P(1) O(13) 1.522(5)
P(1) H(1) 1.35
P(2) O(21) 1.535(5)
P(2) O(22) 1.502(6)
P(2) O(23) 1.530(6)
P(2) H(2) 1.35
P(3) O(31) 1.528(6)
P(3) O(32) 1.505(6)
P(3) O(33) 1.527(7)
P(3) H(3) 1.35
Eu(1) O(13) 2.407(5)
Eu(1) O(21) 2.545(5)
Eu(1) O(22) 2.271(5)
Eu(1) O(23) 2.517(6)
Eu(1) O(23) 2.301(5)
Eu(1) O(32) 2.267(6)
Eu(1) O(33) 2.319(7)
Eu(1) O(W3) 2.697(12)
Eu(2) O(11) 2.328(5)
Eu(2) O(12) 2.503(5)
Eu(2) O(12) 2.427(5)
Eu(2) O(13) 2.486(5)
Eu(2) O(21) 2.343(5)
Eu(2) O(31) 2.329(6)
Eu(2) O(W1) 2.466(5)
Eu(2) O(W2) 2.468(6)
