#------------------------------------------------------------------------------
#$Date: 2021-07-28 01:16:24 +0300 (Wed, 28 Jul 2021) $
#$Revision: 267768 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/42/1564253.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_1564253
loop_
_publ_author_name
'Nagashima, M.'
'Nishio-Hamane, D.'
'Ito, S.'
'Tanaka, T.'
_publ_section_title
;
 Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from
 Kouragahana, Shimane Prefecture, Japan : prehnite from N'Chwaning mine
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              129
_journal_page_last               139
_journal_paper_doi               10.2465/jmps.210127
_journal_volume                  116
_journal_year                    2021
_chemical_formula_sum            'Al2.01 Ca1.98 H2 Mn0.01 O12 Si2.99'
_chemical_name_common            Ca1.98Mn0.01Al1.00(Al1.01Si2.99)O10(OH)2
_chemical_name_mineral           ferriprehnite
_space_group_IT_number           28
_space_group_name_Hall           'P 2 -2a'
_space_group_name_H-M_alt        'P m a 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   18.4626(4)
_cell_length_b                   5.4793(1)
_cell_length_c                   4.6201(1)
_cell_volume                     467.379(17)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            prehnite1.cif
_cod_data_source_block           prehnite1
_cod_original_cell_volume        467.38(1)
_cod_original_formula_sum        'Ca1.98 Mn0.01 Al2.01 Si2.99 O12 H2'
_cod_database_code               1564253
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x+1/2,-y,z
4 -x+1/2,y,z
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
A 1.0 0.150673(14) 0.76125(6) 0.0000(2) Uani 0.00801(6) Ca
M 1.0 0.250000 0.26249(14) 0.0021(3) Uani 0.00487(10) Al
T1 1.0 0.130587(19) 0.25127(9) 0.5087(3) Uani 0.00473(7) Si
T2A 1.0 0.000000 0.000000 0.8164(2) Uani 0.00514(14) Al
T2S 1.0 0.000000 0.500000 0.1990(2) Uani 0.00490(12) Si
O1a 1.0 0.17654(7) 0.1304(2) 0.2503(4) Uani 0.0074(2) O
O1b 1.0 0.17667(7) 0.3942(2) 0.7510(4) Uani 0.0072(2) O
O2a 1.0 0.08263(7) 0.0288(2) 0.6469(4) Uani 0.0086(3) O
O2b 1.0 0.07434(8) 0.4614(3) 0.3851(4) Uani 0.0115(3) O
O3 1.0 0.01969(6) 0.7402(2) 0.0150(6) Uani 0.0103(2) O
OHa 1.0 0.250000 0.9598(3) 0.7951(5) Uani 0.0069(3) O
OHb 1.0 0.250000 0.5634(3) 0.2090(5) Uani 0.0066(3) O
Ha 1.0 0.250000 0.986(10) 0.5853(18) Uiso 0.05 H
Hb 1.0 0.250000 0.532(9) 0.418(2) Uiso 0.05 H
