#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013736.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_9013736
loop_
_publ_author_name
'Elliott, P.'
'Giester, G.'
'Libowitzky, E.'
'Kolitsch, U.'
_publ_section_title
;
 Description and crystal structure of liversidgeite, Zn6(PO4)4*7H2O,
 a new mineral from Broken Hill, New South Wales, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              397
_journal_page_last               404
_journal_paper_doi               10.2138/am.2010.3306
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Block 14 Opencut, Broken Hill, New South Wales, Australia'
_chemical_formula_sum            'H14 O23 P4 Zn6'
_chemical_name_mineral           Liversidgeite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.68
_cell_angle_beta                 82.02
_cell_angle_gamma                80.18
_cell_length_a                   8.299
_cell_length_b                   9.616
_cell_length_c                   12.175
_cell_formula_units_Z            2
_cell_volume                     905.065
_database_code_amcsd             0005033
_exptl_crystal_density_diffrn    3.296
_cod_original_formula_sum        'Zn6 P4 O23 H14'
_cod_database_code               9013736
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn1 0.03028 0.40116 0.12441 0.01190
Zn2 0.42699 0.39460 0.12045 0.01177
Zn3 0.92638 0.12078 0.38843 0.01170
Zn4 0.52516 0.13951 0.39429 0.01290
Zn5 0.81612 0.40022 0.49691 0.01320
Zn6 0.64560 0.33973 0.74866 0.01770
P1 0.20860 0.69910 0.02141 0.00780
P2 0.67940 0.43690 0.28472 0.00770
P3 0.17530 0.36130 0.36516 0.00740
P4 0.29100 0.91580 0.37199 0.00730
O1 0.06770 0.61480 0.02180 0.01320
O2 0.20310 0.83960 -0.08220 0.01300
O3 0.37440 0.60210 0.00980 0.01190
O4 0.19470 0.73730 0.13650 0.01380
O5 0.80430 0.47420 0.18040 0.01620
O6 0.69280 0.52170 0.36950 0.01770
O7 0.70350 0.26980 0.34970 0.01050
O8 0.50500 0.47950 0.24140 0.01270
O9 0.30760 0.24890 0.42750 0.01210
O10 0.17260 0.51270 0.38210 0.01760
O11 0.20200 0.38050 0.23460 0.01030
O12 0.00690 0.30720 0.41330 0.01020
O13 0.29630 0.00720 0.24470 0.01280
O14 0.12690 0.95950 0.43490 0.01190
O15 0.43120 0.94090 0.43010 0.00960
O16 0.30410 0.75090 0.38210 0.01130
O17 0.00700 0.16970 0.21310 0.01370
H1 -0.07800 0.14800 0.19000 0.02000
H2 0.10800 0.12400 0.20200 0.06000
O18 0.26640 0.32760 0.02540 0.01330
H3 0.29300 0.23200 0.03900 0.05000
H4 0.25900 0.38000 -0.05000 0.04000
O19 0.78070 0.96620 0.37480 0.01430
H5 0.82400 0.95200 0.30900 0.03000
H6 0.76800 0.88200 0.43100 0.05000
O20 0.51670 0.17820 0.20980 0.01440
H7 0.44400 0.11700 0.21200 0.08000
H8 0.61300 0.17300 0.17100 0.10000
O21 0.45750 0.20740 0.82540 0.03890
H9 0.49500 0.12800 0.88600 0.16000
H10 0.41200 0.18000 0.77100 0.17000
O22 0.86970 0.77640 0.24410 0.03960
H11 0.82700 0.68900 0.28000 0.09000
H12 0.97700 0.74900 0.22200 0.07000
O23 0.27140 0.05120 0.01360 0.06400
H13 0.25300 -0.00600 -0.03100 0.09000
H14 0.21600 0.01800 0.08500 0.10000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005033
