#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/30/9003097.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_9003097
loop_
_publ_author_name
'Gunter, M. E.'
'Dyar, M. D.'
'Twamley, B.'
'Foit, F. F.'
'Cornelius, S.'
_publ_section_title
;
 Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and
 asbestiform amphiboles from Libby, Montana, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1970
_journal_page_last               1978
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al0.06 Ca1.12 Fe0.52 H2 K0.2 Mg4.46 Mn0.04 Na1.12 O24 Si7.96'
_chemical_name_mineral           Richterite
_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                 104.377
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8787
_cell_length_b                   18.024
_cell_length_c                   5.2875
_cell_volume                     911.975
_database_code_amcsd             0003186
_exptl_crystal_density_diffrn    3.020
_cod_original_formula_sum
'Si7.96 Al.06 Mg4.46 Fe.52 Mn.04 Ca1.12 Na1.12 K.2 O24 H2'
_cod_database_code               9003097
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
SiT(1) 0.27910 0.08480 0.29600 0.99500 0.01100 Si 0
AlT(1) 0.27910 0.08480 0.29600 0.00500 0.01100 Al 0
SiT(2) 0.28720 0.17140 0.80310 0.99500 0.01100 Si 0
AlT(2) 0.28720 0.17140 0.80310 0.00500 0.01100 Al 0
MgM(1) 0.00000 0.08860 0.50000 0.99000 0.00900 Mg 0
AlM(1) 0.00000 0.08860 0.50000 0.01000 0.00900 Al 0
MgM(2) 0.00000 0.17960 0.00000 0.82000 0.01000 Mg 0
FeM(2) 0.00000 0.17960 0.00000 0.18000 0.01000 Fe 0
MgM(3) 0.00000 0.00000 0.00000 0.84000 0.02000 Mg 0
FeM(3) 0.00000 0.00000 0.00000 0.16000 0.02000 Fe 0
MnM(4) 0.00000 0.27720 0.50000 0.02000 0.01800 Mn 0
CaM(4) 0.00000 0.27720 0.50000 0.56000 0.01800 Ca 0
NaM(4) 0.00000 0.27720 0.50000 0.42000 0.01800 Na 0
NaA 0.00000 0.50000 0.00000 0.28000 0.10500 Na 0
KA 0.00000 0.50000 0.00000 0.20000 0.10500 K 0
O(1) 0.11130 0.08650 0.21660 1.00000 0.01300 O 0
O(2) 0.11860 0.17020 0.72690 1.00000 0.01400 O 0
O(3) 0.10810 0.00000 0.71380 1.00000 0.01400 O 0
O(4) 0.36340 0.24870 0.79560 1.00000 0.01500 O 0
O(5) 0.34590 0.13150 0.09220 1.00000 0.01500 O 0
O(6) 0.34190 0.11820 0.58770 1.00000 0.01400 O 0
O(7) 0.33640 0.00000 0.29350 1.00000 0.01600 O 0
H 0.21480 0.00000 0.77500 1.00000 0.03000 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
;
2023-05-23T09:15:15+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 0003186
