#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/04/9000452.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_9000452
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;Palermoite, SrLi2[Al4(OH)4(PO4)4]: Its atomic arrangement and relationship to
 carminite, Pb2[Fe4(OH)4(AsO4)4]
;
_journal_name_full               'American Mineralogist'
_journal_page_first              460
_journal_page_last               465
_journal_volume                  60
_journal_year                    1975
_chemical_compound_source
'Palermo pegmatite, near North Groton, New Hampshire, USA'
_chemical_formula_sum            'Al4 H4 Li2 O20 P4 Sr'
_chemical_name_mineral           Palermoite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2a 2'
_symmetry_space_group_name_H-M   'I m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.556
_cell_length_b                   15.847
_cell_length_c                   7.315
_cell_volume                     1339.581
_database_code_amcsd             0000463
_exptl_crystal_density_diffrn    3.259
_cod_original_formula_sum        'Sr Li2 Al4 P4 O20 H4'
_cod_database_code               9000452
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+x,y,-z
+x,1/2+y,1/2-z
1/2-x,-y,z
-x,1/2-y,1/2+z
1/2+x,-y,z
+x,1/2-y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Sr 0.25000 0.50000 0.50000 0.01013 Sr 0
Li 0.50000 0.28510 0.27230 0.02786 Li 0
Al 0.13070 0.37270 0.13740 0.00709 Al 0
P 0.25000 0.29220 0.50000 0.00570 P 0
O1 0.14380 0.26320 0.03870 0.00950 O 0
O2 0.22570 0.35150 0.33890 0.00747 O 0
P2 0.00000 0.45760 0.77310 0.00633 P 0
O3 0.00000 0.39930 0.61070 0.01241 O 0
O4 0.00000 0.40140 0.95020 0.00963 O 0
O5 0.10830 0.48570 0.22750 0.00874 O 0
O-H1 0.00000 0.33630 0.26060 0.00785 O 1
O-H2 0.25000 0.41170 0.00000 0.01102 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 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:46:19+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 0000463
