#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/97/9009729.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_9009729
loop_
_publ_author_name
'Kato, T.'
_publ_section_title
;
 Further refinement of the goyazite structure
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              390
_journal_page_last               396
_journal_paper_doi               10.2465/minerj.13.390
_journal_volume                  13
_journal_year                    1987
_chemical_compound_source
'Palermo mine, North Groton, New Hampshire, USA'
_chemical_formula_sum            'Al3 H7 O14 P2 Sr'
_chemical_name_mineral           Goyazite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.015
_cell_length_b                   7.015
_cell_length_c                   16.558
_cell_formula_units_Z            3
_cell_volume                     705.657
_database_code_amcsd             0014430
_exptl_crystal_density_diffrn    3.258
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Sr Al3 P2 O14 H7'
_cod_database_code               9009729
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-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
Sr 0.00000 0.00000 0.00000 1.00000 0.01267
Al 0.50000 0.50000 0.50000 1.00000 0.00836
P 0.00000 0.00000 0.30750 1.00000 0.00659
O1 0.00000 0.00000 0.40030 1.00000 0.00861
O2 0.21420 -0.21420 -0.05670 1.00000 0.00836
O3 0.12470 -0.12470 0.13710 1.00000 0.00912
H1 0.00000 0.00000 0.46300 0.50000 ?
H2 0.19400 0.80600 0.11000 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014430
