#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/27/9002780.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_9002780
loop_
_publ_author_name
'Caballero, J. M.'
'Oberti, R.'
'Ottolini, L.'
_publ_section_title
;
 Ferripedrizite, a new monoclinic Li amphibole end-member from the
 Eastern Pedriza Massif, Sierra de Guadarrama, Spain, and a restatement
 of the nomenclature of Mg-Fe-Mn-Li amphiboles
;
_journal_name_full               'American Mineralogist'
_journal_page_first              976
_journal_page_last               982
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
;Al0.2 Ca0.04 F0.7 Fe2.51 H1.3 K0.04 Li2.34 Mg1.48 Mn0.07 Na0.76 O23.3 Si8
 Ti0.08 Zn0.02
;
_chemical_name_mineral           Ferripedrizite
_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                 102.15
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.499
_cell_length_b                   17.864
_cell_length_c                   5.296
_cell_volume                     878.548
_database_code_amcsd             0002869
_exptl_crystal_density_diffrn    3.173
_cod_original_formula_sum
;O23.3 F.7 Si8 Mg1.48 Fe2.51 Al.2 Ti.08 Zn.02 Li2.34 Mn.07 Na.76 Ca.04 K.04
 H1.3
;
_cod_database_code               9002780
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
O1 0.11210 0.09110 0.20450 1.00000 0.00773 O 0
O2 0.12170 0.17360 0.73110 1.00000 0.00861 O 0
O3 0.11450 0.00000 0.70110 0.65000 0.01191 O 0
F3 0.11450 0.00000 0.70110 0.35000 0.01191 F 0
O4 0.37470 0.25030 0.78260 1.00000 0.01064 O 0
O5 0.35450 0.12950 0.06390 1.00000 0.01039 O 0
O6 0.34670 0.12050 0.56260 1.00000 0.01140 O 0
O7 0.33950 0.00000 0.28030 1.00000 0.01140 O 0
SiT1 0.28560 0.08640 0.27790 1.00000 0.00557 Si 0
SiT2 0.29670 0.17130 0.78670 1.00000 0.00583 Si 0
MgM1 0.00000 0.08780 0.50000 0.74000 0.00785 Mg 0
FeM1 0.00000 0.08780 0.50000 0.26000 0.00785 Fe 0
FeM2 0.00000 0.18100 0.00000 0.85000 0.00671 Fe 0
AlM2 0.00000 0.18100 0.00000 0.10000 0.00671 Al 0
TiM2 0.00000 0.18100 0.00000 0.04000 0.00671 Ti 0
ZnM2 0.00000 0.18100 0.00000 0.01000 0.00671 Zn 0
LiM3 0.00000 0.00000 0.00000 0.64000 0.00874 Li 0
FeM3 0.00000 0.00000 0.00000 0.29000 0.00874 Fe 0
MnM3 0.00000 0.00000 0.00000 0.07000 0.00874 Mn 0
NaM4 0.00000 0.26360 0.50000 0.12000 0.02444 Na 0
CaM4 0.00000 0.26360 0.50000 0.02000 0.02444 Ca 0
LiM4* 0.00000 0.24540 0.50000 0.85000 0.01330 Li 0
NaAm 0.07200 0.50000 0.14530 0.26000 0.03394 Na 0
KAm 0.07200 0.50000 0.14530 0.02000 0.03394 K 0
H 0.18770 0.00000 0.76570 0.65000 0.01153 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
;
2023-05-23T09:15:09+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 0002869
