#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017501.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_9017501
loop_
_publ_author_name
'Plasil, J.'
'Kampf, A. R.'
'Kasatkin, A. V.'
'Marty, J.'
_publ_section_title
;
 Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the
 Blue Lizard mine, San Juan County, Utah, USA
;
_journal_name_full               'Journal of Geosciences'
_journal_page_first              145
_journal_page_last               158
_journal_volume                  59
_journal_year                    2014
_chemical_compound_source        'Blue Lizard mine, San Juan County, Utah, USA'
_chemical_formula_sum            'Cl0.94 H4 Na7 O20.06 S4 U'
_chemical_name_mineral           Bluelizardite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.913
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.1507
_cell_length_b                   5.3469
_cell_length_c                   34.6711
_cell_volume                     3788.911
_database_code_amcsd             0020418
_exptl_crystal_density_diffrn    3.105
_cod_data_source_file            inputs/fixed/downloads/16/16044.cif
_cod_data_source_block           16044
_cod_original_formula_sum        'Na7 U S4 Cl.94 O20.06 H4'
_cod_database_code               9017501
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
Na1 0.50000 0.50000 0.50000 1.00000 0.01680 Na 0
Na2 0.50000 0.36880 0.75000 1.00000 0.02610 Na 0
Na3 0.24344 0.87550 0.66014 1.00000 0.02360 Na 0
Na4 0.31919 0.41310 0.75567 1.00000 0.02930 Na 0
Na5 0.37872 0.98720 0.50389 1.00000 0.02130 Na 0
Na6 0.69460 0.74270 0.58061 1.00000 0.02730 Na 0
Na7 0.43332 0.41890 0.57801 1.00000 0.02300 Na 0
Na8 0.34817 0.38120 0.65853 1.00000 0.02680 Na 0
U 0.51979 0.88926 0.66688 1.00000 0.00965 U 0
S1 0.39880 0.82919 0.72524 1.00000 0.01116 S 0
S2 0.19437 0.38979 0.67998 1.00000 0.01280 S 0
S3 0.35667 0.93456 0.60518 1.00000 0.01240 S 0
S4 0.52816 0.97992 0.56514 1.00000 0.01085 S 0
Cl 0.35728 1.49234 0.49530 0.94000 0.02550 Cl 0
O21 0.35728 1.49234 0.49530 0.06000 0.02550 O 0
O1 0.39670 1.10090 0.72350 1.00000 0.02110 O 0
O2 0.45053 0.73220 0.70702 1.00000 0.02110 O 0
O3 0.33715 0.71350 0.70406 1.00000 0.01870 O 0
O4 0.41507 0.73380 0.76693 1.00000 0.01610 O 0
O5 0.19330 0.62550 0.70048 1.00000 0.02630 O 0
O6 0.22590 0.42170 0.64714 1.00000 0.02040 O 0
O7 0.22999 0.19990 0.70751 1.00000 0.02900 O 0
O8 0.12656 0.29950 0.66314 1.00000 0.02060 O 0
O9 0.29776 1.02790 0.61533 1.00000 0.01990 O 0
O10 0.36035 1.02750 0.56665 1.00000 0.02590 O 0
Oil 0.36047 0.66180 0.60765 1.00000 0.02210 O 0
O12 0.41380 1.04590 0.63616 1.00000 0.01670 O 0
O13 0.50291 0.72620 0.55835 1.00000 0.02180 O 0
O14 0.48627 1.15510 0.53732 1.00000 0.01890 O 0
O15 0.59554 0.99620 0.56187 1.00000 0.01930 O 0
O16 0.52671 1.06430 0.60633 1.00000 0.01560 O 0
O17 0.50283 0.59960 0.64233 1.00000 0.01600 O 0
O18 0.53365 1.18010 0.69168 1.00000 0.01760 O 0
Owl9 0.64780 0.42230 0.60943 1.00000 0.02640 O 0
Ow20 0.23476 0.51500 0.53951 1.00000 0.04000 O 0
H1 0.61690 0.48300 0.61930 1.00000 0.03160 H 0
H2 0.26910 0.46300 0.53230 1.00000 0.04800 H 0
H3 0.23910 0.67400 0.54540 1.00000 0.04800 H 0
H4 0.63320 0.29000 0.59520 1.00000 0.03160 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
;
2023-05-18T11:43:21+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 0020418
