#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000288.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_9000288
loop_
_publ_author_name
'Brunton, G. D.'
'Harris, L. A.'
'Kopp, O. C.'
_publ_section_title
;
 Crystal structure of a rubidium iron feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1720
_journal_page_last               1728
_journal_volume                  57
_journal_year                    1972
_chemical_formula_structural     'Rb Fe (Si3 O8)'
_chemical_formula_sum            'Fe1.088 O8 Rb Si2.912'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.05
_cell_angle_beta                 116.47
_cell_angle_gamma                89.35
_cell_formula_units_Z            4
_cell_length_a                   8.952
_cell_length_b                   13.127
_cell_length_c                   7.359
_cell_volume                     774.063
_database_code_amcsd             0000297
_exptl_crystal_density_diffrn    3.055
_cod_original_formula_sum        'Rb (Si2.912 Fe1.088) O8'
_cod_database_code               9000288
_amcsd_formula_title             RbFeSi3O8
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_type_symbol
_atom_site_attached_hydrogens
Rb1 0.29248 -0.00054 0.14784 1.00000 Rb 0
Si1o 0.00710 -0.80854 0.21900 0.51300 Si 0
Fe1o 0.00710 -0.80854 0.21900 0.48700 Fe 0
Si1m 0.00730 -0.19027 0.22280 0.61100 Si 0
Fe1m 0.00730 -0.19027 0.22280 0.38900 Fe 0
Si2o 0.72020 -0.88080 0.34220 0.89000 Si 0
Fe2o 0.72020 -0.88080 0.34220 0.11000 Fe 0
Si2m 0.71970 -0.11780 0.34430 0.89800 Si 0
Fe2m 0.71970 -0.11780 0.34430 0.10200 Fe 0
OA1 0.66570 0.00080 0.28210 1.00000 O 0
OA2 0.00020 -0.14820 0.00510 1.00000 O 0
OBo 0.82170 -0.84220 0.22280 1.00000 O 0
OBm 0.82420 -0.15760 0.22720 1.00000 O 0
OCo 0.04670 -0.67990 0.26330 1.00000 O 0
OCm 0.04580 -0.31720 0.26710 1.00000 O 0
ODo 0.17360 -0.87490 0.41140 1.00000 O 0
ODm 0.17020 -0.12640 0.41380 1.00000 O 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
;
2023-05-23T09:16:15+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 0000297
