#------------------------------------------------------------------------------
#$Date: 2023-05-18 09:14:51 +0200 (Thu 18 de May de 2023) $
#$Revision: 283850 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/25/9012528.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_9012528
loop_
_publ_author_name
'Tang, X. J.'
'Lachgar, A.'
_publ_section_title
;The missing link: synthesis, crystal structure, and thermogravimetric studies
 of InPO4*H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6181
_journal_page_last               6185
_journal_paper_doi               10.1021/ic980548v
_journal_volume                  37
_journal_year                    1998
_chemical_formula_structural     In(PO4)*H2O
_chemical_formula_sum            'H2 In O5 P'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.593
_cell_angle_beta                 94.558
_cell_angle_gamma                107.565
_cell_formula_units_Z            2
_cell_length_a                   5.4342
_cell_length_b                   5.5508
_cell_length_c                   6.5446
_cell_volume                     185.064
_database_code_amcsd             0012721
_exptl_crystal_density_diffrn    4.088
_cod_original_formula_sum        'In P O5 H2'
_cod_database_code               9012528
_amcsd_formula_title             In(PO4)*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
In 0.14013 0.73305 0.21978 0.00670 In 0
P 0.76940 1.12430 0.25590 0.00580 P 0
O1 0.14050 0.66000 -0.11880 0.00820 O 0
O2 -0.16700 0.88630 0.15850 0.00820 O 0
O3 0.47310 1.06260 0.25200 0.00970 O 0
O4 0.08170 0.76880 0.52950 0.01090 O 0
Ow5 0.41550 0.53360 0.26130 0.01890 O 0
H1 0.53000 0.57000 0.20000 0.02000 H 0
H2 0.42000 0.41000 0.28000 0.01000 H 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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-18T08:44:38+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 0012721
