#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017073.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_9017073
loop_
_publ_author_name
'Yang, H.'
'Martinelli, L.'
'Tasso, F.'
'Sprocati, A. R.'
'Pinzari, F.'
'Liu, Z.'
'Downs, R. T.'
'Sun, H. J.'
_publ_section_title
;
 A new biogenic, struvite-related phosphate, the ammonium-analog of hazenite,
 (NH4)NaMg2(PO4)2*14H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1761
_journal_page_last               1766
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H28 K0.216 Mg2 N0.784 Na O22 P2'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2bc 2a'
_space_group_name_H-M_alt        'P m n b'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.9661
_cell_length_b                   25.236
_cell_length_c                   11.2919
_cell_formula_units_Z            4
_cell_volume                     1985.076
_database_code_amcsd             0020336
_exptl_crystal_density_diffrn    1.784
_cod_data_source_file            inputs/fixed/downloads/05/05794.cif
_cod_data_source_block           05794
_cod_original_cell_volume        1985.077
_cod_original_formula_sum        '(N.784 K.216) Na Mg2 P2 O22 H28'
_cod_database_code               9017073
_amcsd_formula_title             (NH4)NaMg2(PO4)2*14H2O
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
-x,-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
N 0.75000 0.22146 0.49832 0.78400 0.03860
K 0.75000 0.22146 0.49832 0.21600 0.03860
Na 0.75000 0.00057 0.92664 1.00000 0.03670
Mg1 0.75000 0.95466 0.63939 1.00000 0.01430
Mg2 0.75000 0.22385 0.83704 1.00000 0.01600
P1 0.25000 0.12865 0.72105 1.00000 0.01490
P2 0.75000 0.12589 0.21724 1.00000 0.01420
O1 0.25000 0.13574 0.85720 1.00000 0.02150
O2 0.25000 0.18372 0.66140 1.00000 0.02220
O3 0.43170 0.09817 0.68450 1.00000 0.02010
O4 0.75000 0.06616 0.19070 1.00000 0.02410
O5 0.75000 0.13598 0.35150 1.00000 0.02190
O6 0.93110 0.15090 0.16160 1.00000 0.01920
O7 0.75000 0.00987 0.50720 1.00000 0.02920
O8 0.75000 0.89480 0.76150 1.00000 0.03660
O9 0.53590 0.91630 0.54490 1.00000 0.02530
O10 0.95860 0.99535 0.73730 1.00000 0.02330
O11 0.53410 0.25019 0.72620 1.00000 0.02920
O12 0.96440 0.19572 0.94840 1.00000 0.02380
O13 0.75000 0.15560 0.72950 1.00000 0.02810
O14 0.75000 0.29694 0.92750 1.00000 0.03760
O15 0.01140 0.05941 0.98120 1.00000 0.03290
H11 0.83400 0.02600 0.48700 1.00000 0.04000
H21 0.84300 0.88000 0.78900 1.00000 0.04000
H31 0.45300 0.89900 0.57300 1.00000 0.04000
H32 0.54600 0.90900 0.47300 1.00000 0.04000
H41 0.06600 0.97600 0.75700 1.00000 0.04000
H42 0.99400 0.02500 0.72700 1.00000 0.04000
H51 0.44600 0.22800 0.71500 1.00000 0.04000
H52 0.51200 0.27700 0.71700 1.00000 0.04000
H61 0.93200 0.18200 0.01600 1.00000 0.04000
H62 0.05300 0.17400 0.91800 1.00000 0.04000
H71 0.84100 0.13600 0.72600 1.00000 0.04000
H81 0.75000 0.31700 0.89600 1.00000 0.04000
H82 0.75000 0.30000 0.01100 1.00000 0.04000
H91 0.05300 0.08100 0.94600 1.00000 0.04000
H92 0.96000 0.07600 0.03800 1.00000 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020336
