#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017893.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_9017893
loop_
_publ_author_name
'Grey, I. E.'
'Mumme, G.'
'Kampf, A. R.'
'MacRae, C. M.'
'Wilson, N. C.'
_publ_section_title
;
 Natrowalentaite, a new mineral from the Griffins Find gold deposit, Western Australia
 Note: T = 100 K
;
_journal_name_full               'Australian Journal of Mineralogy'
_journal_page_first              7
_journal_page_last               15
_journal_volume                  20
_journal_year                    2019
_chemical_compound_source        'Griffins Find gold deposit, Western Australia'
_chemical_formula_sum            'As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664'
_chemical_name_mineral           Natrowalentalte
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   25.770
_cell_length_b                   7.3250
_cell_length_c                   10.522
_cell_volume                     1986.188
_database_code_amcsd             0020947
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.800
_cod_data_source_file            inputs/fixed/split/14388.cif
_cod_data_source_block           14388
_cod_original_formula_sum        'Fe2.686 W.664 P2 O20.36 As1.768 Na1.48 H10.8'
_cod_database_code               9017893
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-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
Fe1 0.25000 0.25000 0.25000 1.00000 0.01700
Fe2 0.32390 0.50000 0.50000 0.66800 0.01800
W2 0.30830 0.50000 0.50000 0.33200 0.01800
P1 0.37380 0.25000 0.28970 1.00000 0.01400
O1 0.42320 0.25000 0.20970 1.00000 0.02900
O2 0.32560 0.25000 0.20520 1.00000 0.01900
O3 0.37310 0.42220 0.37650 1.00000 0.02300
O4A 0.26530 0.54500 0.63000 0.50000 0.01800
O4B 0.25960 0.57400 0.60900 0.50000 0.01800
O5 0.31790 0.25000 0.57300 1.00000 0.02000
As2 0.21040 0.02800 0.51100 0.22400 0.02300
As3 0.26700 0.30440 0.69370 0.21800 0.02000
Na2A 0.18100 -0.00600 0.52900 0.18000 0.02900
Na2B 0.15780 0.03800 0.51200 0.10000 0.02900
O6 0.20860 0.25000 0.59800 0.48000 0.03800
Fe3 0.50000 0.75000 0.29120 0.35000 0.03700
Na1 0.50000 0.75000 0.16400 0.36000 0.02900
Wat1A 0.57150 0.75000 0.33200 0.42000 0.04000
Wat1B 0.58490 0.75000 0.25700 0.54000 0.04000
Wat2A 0.50000 0.46400 0.29400 0.64000 0.04000
Wat2B 0.50000 0.49200 0.23100 0.30000 0.04000
Wat3 0.52900 0.75000 0.47400 0.14000 0.04000
Wat4 0.00000 0.25000 0.59700 0.44000 0.04000
Wat5 0.44450 0.56600 0.01100 0.22000 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020947