# Last edited on 2022-07-20 15:07:33 by stolfi

# Atom coordinates (pm) of trisodium pentaborate Na3B5O8(OH)2.H2O
# From Silvio Menchetti and Cesare Sabelli (1977), 
# "The crystal structure of synthetic sodium pentaborate monohydrate"
# Acta Crystallographica Series B, volume B33, pages 3730-3733.

# Orthorhombic a = 880.4, b = 1837.1, c = 1092.4, Z = 8

# 
# Sy ix xc yc zc

Na  1  431.7  566.9  396.7
Na  2  417.1  740.9  426.0
Na  3  119.4  459.0  400.2
O   1  262.2  653.4  174.0
O   2   12.9  673.1  253.7
O   3  212.6  763.3  293.5
O   4  224.6  646.8  392.4
O   5  -38.5  644.7  465.1
O   6  155.8  697.1  588.9
O   7  143.0  565.1  554.1
O   8  266.9  616.9  736.2
O   9  196.3  494.3  735.9
O  10  399.2  530.3  609.6
O  11  581.1  650.9  522.9
B   1  178.3  684.6  284.9
B   2  -84.8  658.6  346.7
B   3  125.4  637.0  497.9
B   4  212.5  683.9  701.5
B   5  249.2  554.4  654.8
H   1  210.0  450.0  720.0
H   2  480.0  560.0  670.0
H   3  640.0  650.0  460.0
H   4  620.0  680.0  580.0