#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/19/9011961.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_9011961
loop_
_publ_author_name
'Robert, J. L.'
'Gasperin, M.'
_publ_section_title
;Crystal structure refinement of hendricksite, a Zn- and Mn-rich trioctahedral
 potassium mica: a contribution to the crystal chemistry of zinc-bearing
 minerals Locality: Franklin Furnace, New Jersey, USA Note: polytype 1M
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               14
_journal_volume                  34
_journal_year                    1985
_chemical_formula_sum
;Al1.138 Ba0.01 Cr0.006 Fe0.252 H1.36 K0.89 Mg1.572 Mn0.4 Na0.1 O12 Si2.92
 Ti0.072 Zn0.54
;
_chemical_name_mineral           Hendricksite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.340
_cell_length_b                   9.254
_cell_length_c                   10.235
_cell_volume                     497.985
_cod_duplicate_entry             9009619
_cod_data_source_file            11667.cif
_cod_data_source_block           global
_cod_original_formula_sum
;(K.89 Na.1 Ba.01) Mg1.572 Zn.54 Mn.4 Fe.252 Ti.072 Al1.138 Cr.006 Si2.92 O12
 H1.36
;
_cod_database_code               9011961
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
KA 0.00000 0.00000 0.00000 0.89000 0.03040 K 0
NaA 0.00000 0.00000 0.00000 0.10000 0.00380 Na 0
BaA 0.00000 0.00000 0.00000 0.01000 0.00380 Ba 0
Mg1 0.00000 0.50000 0.50000 0.52400 0.00380 Mg 0
Zn1 0.00000 0.50000 0.50000 0.18000 0.00380 Zn 0
Mn1 0.00000 0.50000 0.50000 0.13340 0.00380 Mn 0
Fe1 0.00000 0.50000 0.50000 0.08400 0.00380 Fe 0
Ti1 0.00000 0.50000 0.50000 0.02400 0.00380 Ti 0
Al1 0.00000 0.50000 0.50000 0.01920 0.00380 Al 0
Cr1 0.00000 0.50000 0.50000 0.00200 0.00380 Cr 0
Mg2 0.00000 0.83170 0.50000 0.52400 0.00380 Mg 0
Zn2 0.00000 0.83170 0.50000 0.18000 0.00380 Zn 0
Mn2 0.00000 0.83170 0.50000 0.13340 0.00380 Mn 0
Fe2 0.00000 0.83170 0.50000 0.08400 0.00380 Fe 0
Ti2 0.00000 0.83170 0.50000 0.02400 0.00380 Ti 0
Al2 0.00000 0.83170 0.50000 0.01920 0.00380 Al 0
Cr2 0.00000 0.83170 0.50000 0.00200 0.00380 Cr 0
Si 0.57500 0.16680 0.22520 0.73000 0.00760 Si 0
Al 0.57500 0.16680 0.22520 0.27000 0.00760 Al 0
O1 0.82420 0.23310 0.16740 1.00000 0.02026 O 0
O2 0.52110 0.00000 0.16710 1.00000 0.02153 O 0
O3 0.63130 0.16630 0.38980 1.00000 0.00887 O 0
O-H 0.12970 0.00000 0.39490 1.00000 0.00887 O 1
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
;
2023-05-21T08:54:18+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:21:45+03:00
;Changed the following '_atom_site_aniso_label' values:
'OH' -> 'O-H'
;
