#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015938.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_9015938
loop_
_publ_author_name
'Mooney, R. C. L.'
_publ_section_title
;
 Crystal structures of a series of rare earth phosphates
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1003
_journal_page_last               1003
_journal_volume                  16
_journal_year                    1948
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce H2 O5 P'
_chemical_name_mineral           Rhabdophane-(Ce)
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.055
_cell_length_b                   7.055
_cell_length_c                   6.439
_cell_volume                     277.551
_database_code_amcsd             0019169
_exptl_crystal_density_diffrn    4.543
_cod_original_formula_sum        'Ce P O5 H2'
_cod_database_code               9015938
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
_atom_site_attached_hydrogens
Ce 0.50000 0.50000 0.50000 Ce 0
P 0.50000 0.50000 0.00000 P 0
O1 0.44600 0.14700 0.47300 O 0
O2 0.55400 0.85300 0.47300 O 0
Wat 0.00000 0.00000 0.00000 O 2
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
;
2023-05-10T18:56:33+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 0019169
