#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/15/9001504.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_9001504
loop_
_publ_author_name
'Grice, J. D.'
'Dunn, P. J.'
_publ_section_title
;
 Attakolite: New data and crystal-structure determination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1285
_journal_page_last               1291
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al4 Ca H5 Mn O20 P3 Si'
_chemical_name_mineral           Attakolite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.83
_cell_angle_gamma                90
_cell_length_a                   17.188
_cell_length_b                   11.477
_cell_length_c                   7.322
_cell_formula_units_Z            4
_cell_volume                     1321.250
_database_code_amcsd             0001542
_exptl_crystal_density_diffrn    3.263
_cod_original_formula_sum        'Ca Mn Al4 Si P3 O20 H5'
_cod_database_code               9001504
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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_U_iso_or_equiv
Ca 0.00000 0.25920 0.00000 ?
Mn 0.28700 0.00000 0.04880 ?
Al1 0.13290 0.36700 0.49640 ?
Al2 0.11900 0.12920 0.76850 ?
Si 0.05150 0.00000 0.33080 ?
P1 0.46640 0.00000 0.23490 ?
P2 0.20940 0.25340 0.19480 ?
O1 0.40680 0.00000 0.35320 ?
O2 0.40450 0.00000 0.01690 ?
O3 -0.00570 -0.11350 0.24740 ?
O4 0.26910 0.14720 0.26180 ?
O5 0.26210 0.36100 0.18930 ?
O6 0.16290 0.27420 0.32970 ?
O7 0.09480 0.00000 -0.42680 ?
O8 0.52280 -0.10910 0.28540 ?
O9 0.13950 0.23150 -0.01450 ?
O11 0.12580 0.00000 0.25660 ?
O12 0.17700 0.50000 0.43720 ?
O13 0.08840 0.24400 0.58090 ?
O14 0.15460 0.00000 -0.06090 ?
H1 0.33900 0.50000 -0.32100 0.03000
H2 0.68200 0.00000 0.35700 0.03000
H3 0.55500 -0.22600 0.51000 0.03000
H4 0.15200 0.00000 0.02100 0.03000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001542
