#------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/08/2000805.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_2000805
loop_
_publ_author_name
'Averbuch-Pouchot, M. T.'
'Durif, A.'
_publ_section_title
;
 Structure of an adduct between diammonium dihydrogendiphoshate and
 telluric acid: (NH₄)₂H₂P₂O₇.Te(OH)₆
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              973
_journal_page_last               975
_journal_paper_doi               10.1107/S0108270191013604
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'H16 N2 O13 P2 Te'
_chemical_formula_weight         441.677
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.85(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.651(2)
_cell_length_b                   21.790(10)
_cell_length_c                   6.689(2)
_cell_volume                     1020.0(10)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    1.766
_exptl_crystal_density_diffrn    2.876
_exptl_crystal_F_000             864
_cod_data_source_file            pa0258.cif
_cod_data_source_block           pa0258a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H16 N2 O13 P2 Te1'
_cod_database_code               2000805
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te .0 .0 .0
P(1) .53030(10) .78307(4) .01560(10)
P(2) .62690(10) .87860(3) .34550(10)
O(1) .2736(3) .00410(10) .1386(4)
O(2) .5283(3) .56020(10) .3058(4)
O(3) .0070(3) .93490(10) .1943(4)
O(E11) .8934(4) .68820(10) .3071(4)
O(E21) .4441(3) .74790(10) .1443(4)
O(E31) .6798(4) .74450(10) -.0341(4)
O(E12) .7366(3) .43150(10) .1111(4)
O(E22) .4202(3) .89460(10) .2678(4)
O(E32) .6820(3) .83590(10) .5498(4)
O(L12) .6626(3) .83710(10) .1664(3)
N(1) .5767(4) .68370(10) .5463(5)
N(2) .6392(4) .0666(2) .3292(5)
H(1N1) .056(7) .792(3) .937(8)
H(2N1) .835(3) .060(10) .168(9)
H(3N1) .078(8) .792(3) .137(9)
H(4N1) .507(9) .339(3) .430(10)
H(1N2) .520(10) .042(3) .250(10)
H(2N2) .890(10) .577(4) .040(10)
H(3N2) .730(10) .050(4) .310(10)
H(4N2) .629(9) .102(3) .250(10)
H(1) .317(8) .963(3) .177(9)
H(2) .062(8) .052(3) .325(9)
H(3) .890(10) .938(3) .250(10)
H(P1) .777(8) .221(3) .456(9)
H(P2) .206(8) .194(3) .423(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) H(1N1) .87(6)
N(1) H(2N1) .78(7)
N(1) H(3N1) .80(6)
N(1) H(4N1) .87(7)
N(2) H(1N2) 1.03(6)
N(2) H(2N2) .99(9)
N(2) H(3N2) .85(9)
N(2) H(4N2) .94(7)
O(1) H(1) .95(6)
O(2) H(2) .89(5)
O(3) H(3) 1.06(9)
O(E31) H(P1) .71(6)
O(E32) H(P2) 1.03(6)
P(1) O(E11) 1.501(2)
P(1) O(E21) 1.491(3)
P(1) O(E31) 1.560(3)
O(L12) P(1) 1.613(2)
P(2) O(E12) 1.502(2)
P(2) O(E22) 1.493(2)
P(2) O(E32) 1.563(2)
O(L12) P(2) 1.610(3)
Te O(1) 1.919(2)
Te O(2) 1.919(3)
Te O(3) 1.909(2)
