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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012245.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_9012245
loop_
_publ_author_name
'Logar, N. Z.'
'Mrak, M.'
'Kaucic, V.'
_publ_section_title
;
 Syntheses and structures of two ammonium zinc gallophosphates: analcime
 and paracelsian analogs
 Sample: analcime analog
 Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              480
_journal_page_last               486
_journal_paper_doi               10.1006/jssc.2000.9027
_journal_volume                  156
_journal_year                    2001
_chemical_formula_structural     Zn2GaP3O12*2NH4
_chemical_formula_sum            'Ga H8 N2 O12 P3 Zn2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.456
_cell_length_b                   13.456
_cell_length_c                   13.456
_cell_volume                     2436.396
_database_code_amcsd             0013994
_exptl_crystal_density_diffrn    2.843
_cod_original_cell_volume        2436.397
_cod_original_formula_sum        '(Zn2 Ga) P3 O12 N2 H8'
_cod_database_code               9012245
_amcsd_formula_title             Zn2GaP3O12*2NH4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,-x,1/2+y
-z,1/2-x,+y
-z,1/2+x,1/2-y
1/2-z,+x,-y
1/2+z,1/2-x,-y
+z,-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2-y,-z,1/2+x
-y,1/2-z,+x
-y,1/2+z,1/2-x
1/2-y,+z,-x
y,z,x
1/2+y,1/2+z,1/2+x
-x,1/2+y,1/2-z
1/2-x,+y,-z
1/2+x,1/2-y,-z
+x,-y,1/2-z
1/2-x,-y,1/2+z
-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
Zn 0.42149 0.62197 0.84935 0.66667 0.01400
Ga 0.42149 0.62197 0.84935 0.33333 0.01400
P 0.36800 0.83010 0.90550 1.00000 0.01400
O1 0.37820 0.72220 0.94190 1.00000 0.02000
O2 0.55750 0.64750 0.82150 1.00000 0.01900
O3 0.35230 0.74240 0.83610 1.00000 0.03100
O4 0.40260 0.48950 0.89050 1.00000 0.03100
N1 0.35760 0.35760 0.35760 1.00000 0.02500
N2 0.62340 0.62340 0.62340 1.00000 0.03200
H1 0.34100 0.44050 0.37070 1.00000 0.02900
H2 0.31670 0.31670 0.31670 1.00000 0.02900
H3 0.58860 0.64200 0.70080 1.00000 0.02900
H4 0.57790 0.57790 0.57790 1.00000 0.02900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013994
