#------------------------------------------------------------------------------
#$Date: 2023-11-21 15:46:10 +0200 (Tue, 21 Nov 2023) $
#$Revision: 287704 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015911.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_9015911
loop_
_publ_author_name
'Nishio-Hamane D'
'Ohnishi, M.'
'Minakawa, T.'
'Yamaura, J.'
'Saito, S.'
'Kadota, R.'
_publ_section_title
;
 Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole
 from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.2465/jmps.110715
_journal_volume                  107
_journal_year                    2012
_chemical_compound_source
'Akaishi mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan'
_chemical_formula_sum
'Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02'
_chemical_name_mineral           Chromio-pargasite
loop_
_[local]_alternative_name_id
_[local]_alternative_name_type
_[local]_alternative_name_status
_[local]_alternative_name_source
_[local]_alternative_name_source_id
_[local]_alternative_name_value
1 mineral current AMCSD 0019938 Chromio-pargasite
2 mineral old     AMCSD 0018696 Ehimeite
_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                 105.3950
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.91760
_cell_length_b                   18.0057
_cell_length_c                   5.28650
_cell_volume                     910.155
_database_code_amcsd             0019938
_exptl_crystal_density_diffrn    3.113
_cod_original_formula_sum
'Si6.12 Al2.06 Mg4.06 Cr.6 Fe.14 Ti.02 Ca1.88 Na K.07 O24 H2'
_cod_database_code               9015911
loop_
_cod_entry_issue_id
_cod_entry_issue_origin
_cod_entry_issue_severity
_cod_entry_issue_description
_cod_entry_issue_author
_cod_entry_issue_date
1 upstream note
;Note: name has been changed from ehimeite
;
AMCSD 2021-11-08
loop_
_space_group_symop_operation_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
SiT1 0.28006 0.08505 0.30366 0.53000 0.00536 Si 0
AlT1 0.28006 0.08505 0.30366 0.47000 0.00536 Al 0
SiT2 0.28978 0.17287 0.81260 1.00000 0.00545 Si 0
MgM1 0.00000 0.08883 0.50000 1.00000 0.00386 Mg 0
MgM2 0.00000 0.17560 0.00000 0.53000 0.00993 Mg 0
CrM2 0.00000 0.17560 0.00000 0.30000 0.00993 Cr 0
AlM2 0.00000 0.17560 0.00000 0.09000 0.00993 Al 0
FeM2 0.00000 0.17560 0.00000 0.07000 0.00993 Fe 0
TiM2 0.00000 0.17560 0.00000 0.01000 0.00993 Ti 0
MgM3 0.00000 0.00000 0.00000 1.00000 0.00211 Mg 0
CaM4 0.00000 0.27969 0.50000 0.94000 0.00836 Ca 0
NaM4 0.00000 0.27969 0.50000 0.06000 0.00836 Na 0
NaA 0.00000 0.50000 0.00000 0.88000 0.13500 Na 0
KA 0.00000 0.50000 0.00000 0.07000 0.13500 K 0
O1 0.10739 0.08662 0.21821 1.00000 0.00840 O 0
O2 0.11988 0.17258 0.73037 1.00000 0.00746 O 0
O3 0.10788 0.00000 0.71708 1.00000 0.00882 O 0
O4 0.36554 0.24948 0.78665 1.00000 0.00925 O 0
O5 0.34953 0.14040 0.11364 1.00000 0.01102 O 0
O6 0.34428 0.11479 0.61427 1.00000 0.01164 O 0
O7 0.34128 0.00000 0.27210 1.00000 0.01315 O 0
H 0.19670 0.00000 0.74370 1.00000 0.00900 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
;
2023-05-23T09:23:31+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
_cod_related_entry_description
1 AMCSD 0018696 .
2 AMCSD 0019938 .
3 Wikidata Q3675914 chromio-pargasite
