#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004563.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_9004563
loop_
_publ_author_name
'Krivovichev, S. V.'
'Burns, P. C.'
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. 1. The structure and formula
 of umohoite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              717
_journal_page_last               726
_journal_paper_doi               10.2113/gscanmin.38.3.717
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'H4 Mo O8 U'
_chemical_name_mineral           Umohoite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.64
_cell_angle_beta                 85.95
_cell_angle_gamma                89.91
_cell_formula_units_Z            4
_cell_length_a                   6.3748
_cell_length_b                   7.5287
_cell_length_c                   14.628
_cell_volume                     694.513
_database_code_amcsd             0005655
_exptl_crystal_density_diffrn    4.457
_cod_original_formula_sum        'U Mo O8 H4'
_cod_database_code               9004563
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_type_symbol
_atom_site_attached_hydrogens
U1 0.25592 0.80029 0.29699 U 0
U2 0.15158 0.29981 0.29871 U 0
Mo1 0.70730 0.05750 0.27210 Mo 0
Mo2 0.70730 0.55580 0.27240 Mo 0
O1 0.64000 0.80400 0.28920 O 0
O2 0.23200 0.76800 0.42000 O 0
O3 0.99300 0.59000 0.29570 O 0
O4 0.76900 0.30000 0.29700 O 0
O5 0.11700 0.26800 0.42330 O 0
O6 0.99300 0.01100 0.29610 O 0
O7 0.41200 0.09000 0.29840 O 0
O8 0.17800 0.33100 0.17580 O 0
O9 0.41500 0.50900 0.29930 O 0
O10 0.28000 0.82800 0.17440 O 0
O11 0.72400 0.09300 0.15460 O 0
O12 0.72400 0.57700 0.15560 O 0
Wat13 0.68700 0.52700 0.44070 O 2
Wat14 0.68600 0.99600 0.44210 O 2
Wat15 0.74300 0.12600 -0.00200 O 2
Wat16 0.75300 0.62400 0.00300 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
;
2023-05-10T18:49:17+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 0005655
