#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009516.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009516
_chemical_name 'Faustite'
loop_
_publ_author_name
'Kolitsch U'
'Giester G'
_journal_name_full "Mineralogical Magazine"
_journal_volume 64
_journal_year 2000
_journal_page_first 905
_journal_page_last 913
_publ_section_title
;
 The crystal structure of faustite and its copper analogue turquoise
 Locality: Iron Monarch iron ore deposit, South Australia
;
_chemical_formula_sum 'Zn.927 Al6 P4 O28 H16'
_cell_length_a 7.419
_cell_length_b 7.629
_cell_length_c 9.905
_cell_angle_alpha 69.17
_cell_angle_beta 69.88
_cell_angle_gamma 64.98
_cell_volume 462.236
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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_occupancy
_atom_site_Uiso_or_equiv
Zn   0.00000   0.00000   0.00000   0.92700   0.03010
Al1   0.28350   0.18040   0.74960   1.00000   0.01270
Al2   0.74780   0.18610   0.27319   1.00000   0.01230
Al3   0.24310   0.50220   0.24472   1.00000   0.00830
P1   0.35248   0.38778   0.94179   1.00000   0.01210
P2   0.84463   0.38499   0.45620   1.00000   0.01190
O1   0.06970   0.36060   0.38410   1.00000   0.01470
O2   0.80670   0.34330   0.62450   1.00000   0.01420
O3   0.27990   0.35450   0.11130   1.00000   0.01510
O4   0.06670   0.06110   0.18970   1.00000   0.02080
O5   0.23790   0.07220   0.62810   1.00000   0.01450
O6   0.73250   0.07940   0.12660   1.00000   0.01400
O7   0.29570   0.40560   0.60520   1.00000   0.01480
O8   0.32610   0.22690   0.90220   1.00000   0.01490
O9   0.98820   0.28800   0.83900   1.00000   0.01460
O10   0.57580   0.05130   0.68300   1.00000   0.01670
O11   0.78230   0.40590   0.13130   1.00000   0.01520
O12   0.46320   0.29490   0.32690   1.00000   0.01460
O13   0.79240   0.22740   0.42830   1.00000   0.01280
O14   0.57860   0.36660   0.89640   1.00000   0.01450
H1   0.13300  -0.05500   0.23800   1.00000   0.08000
H2   0.14800   0.11100   0.18400   1.00000   0.13000
H3   0.65300   0.11100   0.60800   1.00000   0.05000
H4   0.60700  -0.06700   0.68900   1.00000   0.06000
H5   0.18500   0.12800   0.58000   1.00000   0.02000
H6   0.67100   0.13500   0.09100   1.00000   0.01000
H7   0.98400   0.33900   0.89500   1.00000   0.01700
H8   0.44400   0.31500   0.39000   1.00000   0.02000