#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017551.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_9017551
loop_
_publ_author_name
'Nagashima, M.'
'Armbruster, T.'
_publ_section_title
;
 Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4
 tetrahedra in silicates
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              55
_journal_page_last               71
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Fianel, Val Ferrera, Graubunden, Switzerland'
_chemical_formula_sum            'As0.093 H Mn6 O19 Si5.07 V0.837'
_chemical_name_mineral           Medaite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.363
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6748
_cell_length_b                   28.8203
_cell_length_c                   7.5444
_cell_volume                     1444.961
_database_code_amcsd             0019904
_exptl_crystal_density_diffrn    3.800
_cod_data_source_file            inputs/fixed/downloads/18/18354.cif
_cod_data_source_block           18354
_cod_original_formula_sum        'Mn6 Si5.07 V.837 As.093 O19 H'
_cod_database_code               9017551
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-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
Mn1 0.37041 0.02258 0.15426 1.00000 0.01430 Mn 0
Mn2 0.68345 0.31660 0.02673 1.00000 0.00940 Mn 0
Mn3 0.45452 0.13659 0.22263 1.00000 0.00930 Mn 0
Mn4 0.67002 0.08672 0.91860 1.00000 0.00860 Mn 0
Mn5 0.14027 0.07644 0.44126 1.00000 0.01150 Mn 0
Mn6 0.47452 0.25295 0.31019 1.00000 0.01130 Mn 0
SiT1 0.69520 0.16629 0.59150 1.00000 0.00690 Si 0
SiT2 0.64130 0.06170 0.51630 1.00000 0.00570 Si 0
SiT3 0.86590 0.01174 0.22840 1.00000 0.00530 Si 0
SiT4 0.81590 -0.09457 0.16470 1.00000 0.00540 Si 0
SiT5 1.03840 -0.14638 -0.11570 1.00000 0.00540 Si 0
VT6 0.49247 0.21348 0.88249 0.83700 0.00570 V 0
AsT6 0.49247 0.21348 0.88249 0.09300 0.00570 As 0
SiT6 0.49247 0.21348 0.88249 0.07000 0.00570 Si 0
O1 0.65380 0.25747 0.85800 1.00000 0.01200 O 0
O2 0.45120 0.20246 1.09050 1.00000 0.01060 O 0
O3 0.27600 0.22427 0.76050 1.00000 0.01450 O 0
O4 0.60830 0.16481 0.79260 1.00000 0.01010 O 0
O5 0.51030 0.18438 0.45360 1.00000 0.00930 O 0
O6 0.89260 0.19739 0.60020 1.00000 0.01070 O 0
O7 0.75250 0.11238 0.55300 1.00000 0.00990 O 0
O8 0.44660 0.06924 0.37410 1.00000 0.00860 O 0
O9 0.59640 0.04149 0.70410 1.00000 0.00970 O 0
O10 0.80610 0.02939 0.42580 1.00000 0.01120 O 0
O11 1.07390 0.03680 0.20890 1.00000 0.01130 O 0
O12 0.68670 0.02236 0.07500 1.00000 0.00870 O 0
O13 0.89770 -0.04412 0.24480 1.00000 0.01150 O 0
O14 0.63070 -0.09014 0.01270 1.00000 0.00860 O 0
O15 0.77710 -0.12128 0.34470 1.00000 0.00950 O 0
O16 1.00250 -0.11735 0.06820 1.00000 0.00920 O 0
O17 1.25340 -0.12767 -0.15570 1.00000 0.00900 O 0
O18 0.86400 -0.13968 -0.27990 1.00000 0.00910 O 0
O19 1.03090 -0.20130 -0.05310 1.00000 0.01210 O 0
H19 0.97200 -0.21700 -0.16000 1.00000 0.05000 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
;
2023-05-23T09:22:04+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 0019904
