#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527362.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_1527362
loop_
_publ_author_name
'Fanfani, L.'
'Nunzi, A.'
'Zanazzi, P.F.'
'Zanzari, A.R.'
_publ_section_title
;
 Additional data on the crystal structure of montgomeryite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              12
_journal_page_last               14
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al4 Ca4 H28 Mg O40 P6'
_chemical_name_systematic        'Al4 Ca4 Mg (P O4)6 (O H)4 (H2 O)12'
_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                 91.36
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.004
_cell_length_b                   24.08299
_cell_length_c                   6.235
_cell_volume                     1501.752
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Fanfani_AMMIAY_1976_666.cif
_cod_data_source_block           H28Al4Ca4Mg1O40P6
_cod_original_formula_sum        'H28 Al4 Ca4 Mg1 O40 P6'
_cod_database_code               1527362
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.47001 0.33638 0.55578 1 0.0
Al2 Al+3 0 0.17177 -0.25 1 0.0
O5 O-2 0.13698 0.11774 -0.20051 1 0.0
O1 O-2 0.6174 0.26034 0.70925 1 0.0
Al1 Al+3 0.25 0.25 0 1 0.0
Ca2 Ca+2 0 0.33082 0.25 1 0.0
O11 O-2 0.1213 0.51881 0.0262 0.5 0.0
O3 O-2 0.30933 0.17528 0.01354 1 0.0
O4 O-2 0.37484 0.0876 -0.15171 1 0.0
O8 O-2 0.16222 0.32941 0.53004 1 0.0
Mg1 Mg+2 0 0.52857 -0.25 0.5 0.0
P2 P+5 0.25851 0.11538 -0.04081 1 0.0
P1 P+5 0.5 0.29949 -0.25 1 0.0
O6 O-2 0.2185 0.08628 0.16276 1 0.0
Ca1 Ca+2 0 0.06132 0.25 1 0.0
O7 O-2 0.37062 0.27169 0.21882 1 0.0
O10 O-2 0.11621 0.46807 0.6132 0.5 0.0
O9 O-2 0.11263 0.0258 0.58142 1 0.0
