#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017045.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_9017045
loop_
_publ_author_name
'Yang, H.'
'Downs, R. T.'
'Evans, S. H.'
'Pinch, W. W.'
_publ_section_title
;
 Lavinskyite, K(LiCu)Cu6(Si4O11)2(OH)4, isotypic with plancheite, a new mineral
 from the Wessels mine, Kalahari Manganese Fields, South Africa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              525
_journal_page_last               530
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Wessels mine, Kalahari Manganese Fields, South Africa'
_chemical_formula_sum            'Cu6.55 H4 K Li Mg0.45 O26 Si8'
_chemical_name_mineral           Lavinskyite
_space_group_IT_number           60
_space_group_name_Hall           '-P 2b 2ac'
_space_group_name_H-M_alt        'P c n b'
_symmetry_space_group_name_H-M   'P c n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.046
_cell_length_b                   20.377
_cell_length_c                   5.2497
_cell_volume                     2037.410
_database_code_amcsd             0020034
_exptl_crystal_density_diffrn    3.644
_cod_data_source_file            inputs/fixed/downloads/05/05676.cif
_cod_data_source_block           05676
_cod_original_cell_volume        2037.411
_cod_original_formula_sum        'K Li Cu6.55 Mg.45 Si8 O26 H4'
_cod_database_code               9017045
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,-z
-x,1/2-y,z
1/2-x,y,1/2+z
1/2+x,-y,1/2-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
KA 0.50000 0.25000 0.97250 1.00000 0.02390 K 0
LiM4 0.20810 0.30110 0.81400 0.50000 0.06100 Li 0
CuM1 0.45964 0.00661 0.25459 0.77500 0.00846 Cu 0
MgM1 0.45964 0.00661 0.25459 0.22500 0.00846 Mg 0
CuM2 0.37544 0.02733 0.77970 1.00000 0.00960 Cu 0
CuM3 0.29265 0.05186 0.29637 1.00000 0.00918 Cu 0
CuM4 0.25019 0.30433 0.70605 0.50000 0.01450 Cu 0
Si1 0.64168 0.10879 0.92937 1.00000 0.00656 Si 0
Si2 0.56233 0.12204 0.43146 1.00000 0.00660 Si 0
Si3 0.40602 0.15778 0.47509 1.00000 0.00648 Si 0
Si4 0.32834 0.18205 0.98224 1.00000 0.00701 Si 0
O1 0.62791 0.03106 0.91920 1.00000 0.00880 O 0
O2 0.54587 0.04545 0.43190 1.00000 0.00950 O 0
O3 0.38089 0.08254 0.46530 1.00000 0.00860 O 0
O4 0.29968 0.10819 0.99860 1.00000 0.01160 O 0
O5 0.72370 0.12728 0.95520 1.00000 0.01270 O 0
O6 0.59839 0.14424 0.16380 1.00000 0.01110 O 0
O7 0.61253 0.14322 0.66770 1.00000 0.01150 O 0
O8 0.49132 0.16592 0.46160 1.00000 0.01220 O 0
O9 0.38343 0.19134 0.74180 1.00000 0.01100 O 0
O10 0.37822 0.19824 0.23060 1.00000 0.01080 O 0
O11 0.27090 0.23876 0.95970 1.00000 0.01610 O 0
O-h12 0.46093 0.06030 0.94340 1.00000 0.01270 O 0
O-h13 0.28510 0.00195 0.61920 1.00000 0.00820 O 0
H1 0.27400 -0.03200 0.59300 1.00000 0.04000 H 0
H2 0.46900 0.09600 0.91600 1.00000 0.04000 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
;
2023-05-23T09:25:27+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 0020034
