#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007756.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007756
loop_
_publ_author_name
'Ribar, B.'
'Radivojevic, P.'
'Argay, G.'
'Kalman, A.'
_publ_section_title
;
 Structure of yttrium nitrate monohydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              525
_journal_page_last               527
_journal_paper_doi               10.1107/S0108270189008711
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Y(NO3)3.H2O
_chemical_formula_sum            'H2 N3 O10 Y'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                64.43
_cell_angle_beta                 70.90
_cell_angle_gamma                62.74
_cell_formula_units_Z            2
_cell_length_a                   7.388
_cell_length_b                   7.889
_cell_length_c                   8.204
_cell_volume                     378.390
_database_code_amcsd             0010116
_exptl_crystal_density_diffrn    2.571
_cod_original_formula_sum        'Y (O10 N3) H2'
_cod_database_code               9007756
_amcsd_formula_title             Y(NO3)3.H2O
loop_
_space_group_symop_operation_xyz
x,y,z
-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
_atom_site_type_symbol
_atom_site_attached_hydrogens
Y 0.52960 0.27070 0.42600 0.01089 Y 0
Wat 0.30870 0.38600 0.22410 0.01900 O 2
N1 0.90100 0.28610 0.19490 0.01773 N 0
O11 0.73590 0.33370 0.13520 0.02026 O 0
O12 0.88310 0.23580 0.36170 0.02026 O 0
O13 0.05790 0.29240 0.08820 0.03040 O 0
N2 0.59310 0.20920 0.78080 0.01773 N 0
O21 0.55680 0.38200 0.64640 0.01773 O 0
O22 0.61400 0.06740 0.73090 0.02026 O 0
O23 0.60340 0.19050 0.92820 0.02533 O 0
N3 0.16810 0.18490 0.65960 0.02026 N 0
O31 0.32020 0.06470 0.57520 0.01646 O 0
O32 0.19260 0.34340 0.62820 0.02153 O 0
O33 0.02620 0.13950 0.75730 0.03420 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:51:00+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010116
