#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/09/9000903.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_9000903
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
'Steele, I. M.'
'Swihart, G. H.'
'Kampf, A. R.'
_publ_section_title
;
 Gainesite, sodium zirconium beryllophosphate: A new mineral and its crystal
 structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1022
_journal_page_last               1028
_journal_volume                  68
_journal_year                    1983
_chemical_formula_sum            'Be0.5 Na0.956 O8 P2 Zr'
_chemical_name_mineral           Gainesite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.567
_cell_length_b                   6.567
_cell_length_c                   17.119
_cell_formula_units_Z            4
_cell_volume                     738.265
_database_code_amcsd             0000922
_exptl_crystal_density_diffrn    2.768
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Na.956 Zr Be.5 P2 O8'
_cod_database_code               9000903
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,1/4+z
3/4-y,1/4-x,3/4+z
1/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,1/2+z
+x,1/2-y,+z
1/2-x,y,1/2-z
-x,1/2+y,-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,3/4+z
3/4+y,3/4+x,1/4+z
1/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+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_occupancy
Na1 0.00000 0.03520 0.03520 0.13500
Na2 0.00000 0.66540 0.03980 0.10400
Zr 0.00000 0.25000 0.37500 1.00000
Be 0.00000 0.75000 0.12500 0.50000
P 0.00000 0.17600 0.17420 0.50000
O1 0.00000 0.25000 0.25510 1.00000
O2 0.00000 0.56450 0.37810 1.00000
O3 0.00000 0.55400 0.18260 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000922
