#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017659.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_9017659
loop_
_publ_author_name
'Kampf, A. R.'
'Plasil, J.'
'Kasatkin, A. V.'
'Marty, J.'
_publ_section_title
;
 Belakovskiite, Na7(UO2)(SO4)4(SO3OH)(H2O)3, a new uranyl sulfate mineral from
 the Blue Lizard mine, San Juan County, Utah, USA
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              639
_journal_page_last               649
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Blue Lizard mine, San Juan County, Utah, USA'
_chemical_formula_sum            'H14 Na14 O50 S10 U2'
_chemical_name_mineral           Belakovskiite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.786
_cell_angle_beta                 90.092
_cell_angle_gamma                96.767
_cell_formula_units_Z            1
_cell_length_a                   5.4581
_cell_length_b                   11.3288
_cell_length_c                   18.4163
_cell_volume                     1092.774
_database_code_amcsd             0020475
_exptl_crystal_density_diffrn    2.937
_cod_data_source_file            inputs/fixed/downloads/18/18566.cif
_cod_data_source_block           18566
_cod_original_formula_sum        'U2 S10 Na14 O50 H14'
_cod_database_code               9017659
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_occupancy
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
U1 0.72620 0.13824 0.76828 1.00000 0.02036 U 0
S1 0.74860 0.19270 0.97103 1.00000 0.01900 S 0
S2 0.67980 0.25410 0.59870 1.00000 0.02210 S 0
S3 0.72640 0.84360 0.81019 1.00000 0.01770 S 0
S4 0.68680 0.46430 0.81836 1.00000 0.01680 S 0
S5 0.20530 0.64640 0.61504 1.00000 0.02400 S 0
Na1 0.00000 0.50000 0.00000 1.00000 0.02920 Na 0
Na2 0.19710 0.97890 0.91140 1.00000 0.03050 Na 0
Na3 0.20800 0.65940 0.82720 1.00000 0.02930 Na 0
Na4 0.72210 0.72430 0.95550 1.00000 0.02750 Na 0
Na5 0.21820 0.37520 0.70940 1.00000 0.02980 Na 0
Na6 0.71580 0.56790 0.67730 1.00000 0.03420 Na 0
Na7 0.29660 0.35840 0.51660 1.00000 0.03710 Na 0
Na8 0.42800 0.96290 0.58350 0.50000 0.07800 Na 0
O1 0.93110 0.11770 0.98620 1.00000 0.02800 O 0
O2 0.22780 0.69040 0.97200 1.00000 0.02800 O 0
O3 0.49890 0.12940 0.96890 1.00000 0.03100 O 0
O4 0.80130 0.21810 0.89630 1.00000 0.02600 O 0
O5 0.57680 0.18800 0.52420 1.00000 0.03800 O 0
O6 0.55660 0.36500 0.62480 1.00000 0.02800 O 0
O7 0.94880 0.28490 0.59890 1.00000 0.03400 O 0
O8 0.61500 0.17300 0.64970 1.00000 0.03400 O 0
O9 0.48920 0.84260 0.84560 1.00000 0.02700 O 0
O10 0.89850 0.78660 0.84760 1.00000 0.02180 O 0
O11 0.69460 0.77820 0.72960 1.00000 0.02600 O 0
O12 0.84150 0.97250 0.81440 1.00000 0.01910 O 0
O13 0.71480 0.50720 0.89980 1.00000 0.02460 O 0
O14 0.92370 0.47970 0.78310 1.00000 0.03100 O 0
O15 0.51150 0.53310 0.79010 1.00000 0.02350 O 0
O16 0.57580 0.33060 0.79550 1.00000 0.02110 O 0
O17 0.97430 0.64580 0.57810 1.00000 0.04300 O 0
O18 0.39210 0.59050 0.56640 1.00000 0.03500 O 0
O19 0.17570 0.59360 0.67930 1.00000 0.03600 O 0
O-H20 0.30150 0.78620 0.64720 1.00000 0.04100 O 1
O21 0.02560 0.20890 0.75950 1.00000 0.03100 O 0
O22 0.43080 0.06730 0.77310 1.00000 0.03600 O 0
Wat23 0.81710 0.96550 0.66180 1.00000 0.03700 O 2
Wat24 0.27010 0.36740 0.93760 1.00000 0.03300 O 2
Wat25 0.08300 0.02200 0.55460 0.50000 0.07200 O 2
Wat26 0.20800 0.99600 0.57010 0.50000 0.05200 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
;
2023-05-10T18:58:33+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 0020475
