#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007919.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_9007919
loop_
_publ_author_name
'Mrak, M.'
'Kolitsch, U.'
'Kaucic, V.'
'Tillmanns, E.'
_publ_section_title
;
 (NH4)(Zn,Ga)2(PO4)2, an open-framework structure
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i44
_journal_page_last               i48
_journal_paper_doi               10.1107/S160053680200870X
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     (NH4)(Zn,Ga)2(PO4)2
_chemical_formula_sum            'Ga H4 N O8 P2 Zn'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.46
_cell_angle_gamma                90
_cell_length_a                   13.370
_cell_length_b                   13.190
_cell_length_c                   8.998
_cell_formula_units_Z            8
_cell_volume                     1560.430
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        '(Zn Ga) P2 O8 N H4'
_cod_database_code               9007919
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
Zn1 0.37042 0.05625 0.11547 0.50000 0.01214
Ga1 0.37042 0.05625 0.11547 0.50000 0.01214
Zn2 0.58004 0.37567 0.06484 0.50000 0.01230
Ga2 0.58004 0.37567 0.06484 0.50000 0.01230
P1 0.35211 0.43822 0.08472 1.00000 0.01297
P2 0.57660 0.13577 0.04242 1.00000 0.01139
O1 0.65260 0.40510 0.25520 1.00000 0.04910
O2 0.63921 0.44698 -0.07950 1.00000 0.02570
O3 0.24507 0.10156 0.01410 1.00000 0.02510
O4 0.43892 0.38788 0.02190 1.00000 0.02930
O5 0.36881 0.08030 0.31890 1.00000 0.03580
O6 0.61803 0.24192 0.02970 1.00000 0.03700
O7 0.46198 0.14235 0.04140 1.00000 0.02030
O8 0.40204 -0.07976 0.09770 1.00000 0.02280
N 0.32440 0.24900 -0.22220 1.00000 0.02940
H1 0.29400 0.30200 -0.25000 1.00000 0.05000
H2 0.26500 0.21700 -0.22100 1.00000 0.05000
H3 0.35700 0.22200 -0.28700 1.00000 0.05000
H4 0.37100 0.27000 -0.15700 1.00000 0.05000
_cod_duplicate_entry 2201016
